Z4YN22_MOUSE Loading...

SANT and BTB domain regulator of CSR

AlphaFold DB , UniProt , Accession Z4YN22, Species MOUSE (Mus musculus, Mouse), Gene Sanbr, Length 189 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80.7Confident89.1Confident66 Ų6659.8 Ų59.833%0.32535%0.345SS..  0140.80-172169.968.600107.9I3 I17 C18 L23 L34 I46M1-I3 HydrophobicContact CE-CG1 4.45Å; M1-I17 WeakPolarHBondContact O-CA 3.46Å; M1-C18 PolarHBondContact N-O 3.42Å; M1-C18 PolarHBondContact O-N 3.29Å; M1-L23 HydrophobicContact CE-CD2 3.17Å; M1-L23 HydrophobicContact CE-CG 4.47Å; M1-L34 HydrophobicContact CE-CD1 4.35Å; M1-I46 HydrophobicContact CE-CD1 3.35Å; M1-I46 HydrophobicContact SD-CD1 3.57Å; M1-I46 VanDerWaalsContact SD-CD1 3.57Å; M1-I46 HydrophobicContact SD-CG1 4.34Å
2V87.3Confident89.4Confident60 Ų6062.3 Ų62.336%0.36436%0.356SS..EExtended strand (participates in β ladder)trans-98.1135.7176.9-174.90000108.2D15V2-D15 HydrophobicContact CG1-CB 4.01Å
3I89.7Confident89.6Confident0 Ų070.8 Ų70.80%039%0.386CS..EExtended strand (participates in β ladder)trans-120.1116176.6-54.7165.6000107.1M1 V5 D15 F16 C18 L23 I46 V48 F55 I59M1-I3 HydrophobicContact CE-CG1 4.45Å; I3-V5 HydrophobicContact CG2-CG2 4.23Å; I3-D15 WeakPolarHBondContact O-CA 3.22Å; I3-F16 HydrophobicContact CB-CB 4.46Å; I3-F16 PolarHBondContact N-O 3.42Å; I3-F16 PolarHBondContact O-N 3.33Å; I3-C18 HydrophobicContact CD1-CB 4.37Å; I3-L23 HydrophobicContact CD1-CD1 3.9Å; I3-L23 HydrophobicContact CD1-CD2 3.83Å; I3-I46 CarbonylContact C-O 3.48Å; I3-I46 HydrophobicContact CG2-CB 4.42Å; I3-I46 HydrophobicContact CG2-CG2 3.99Å; I3-V48 HydrophobicContact CG2-CG2 3.84Å; I3-F55 HydrophobicContact CB-CE1 4.46Å; I3-F55 HydrophobicContact CD1-CE1 4.36Å; I3-F55 HydrophobicContact CD1-CZ 4.21Å; I3-F55 HydrophobicContact CG2-CE1 3.97Å; I3-F55 HydrophobicContact CG2-CZ 3.79Å; I3-I59 HydrophobicContact CD1-CD1 4.32Å
4H91.6Very high89.9Confident47 Ų4772 Ų7222%0.21839%0.388CS..EExtended strand (participates in β ladder)trans-86.9113.4179.4-56.8-68.5000109.4D15 D45 I46 S47 V48H4-D15 IonicContact CE1-OD1 3.64Å; H4-D15 IonicContact CE1-OD2 2.64Å; H4-D15 IonicContact CG-OD1 2.66Å; H4-D15 VanDerWaalsContact ND1-CG 3.33Å; H4-D15 IonicContact ND1-OD1 3.9Å; H4-D15 PolarHBondContact ND1-OD1 2.95Å; H4-D15 IonicContact ND1-OD2 3.86Å; H4-D45 IonicContact NE2-OD1 3.29Å; H4-I46 PolarHBondContact N-O 3.13Å; H4-S47 CarbonylContact O-C 3.57Å; H4-S47 VanDerWaalsContact O-CA 3.26Å; H4-S47 WeakPolarHBondContact O-CA 3.29Å; H4-V48 PolarHBondContact O-N 3.4Å
5V92Very high90.1Very high1 Ų173.7 Ų73.71%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-105.3125.2179.7-1760000109.8I3 K13 E14 F16 V48 C50 V52 F55I3-V5 HydrophobicContact CG2-CG2 4.23Å; V5-K13 VanDerWaalsContact O-CA 3.29Å; V5-K13 WeakPolarHBondContact O-CA 3.47Å; V5-E14 PolarHBondContact N-O 2.78Å; V5-E14 PolarHBondContact O-N 3.35Å; V5-F16 HydrophobicContact CB-CD2 4.09Å; V5-F16 HydrophobicContact CB-CE2 3.84Å; V5-F16 HydrophobicContact CG2-CD2 3.45Å; V5-F16 VanDerWaalsContact CG2-CD2 3.45Å; V5-F16 HydrophobicContact CG2-CE2 3.63Å; V5-V48 CarbonylContact C-O 3.5Å; V5-V48 VanDerWaalsContact CA-O 3.31Å; V5-V48 WeakPolarHBondContact CA-O 3.37Å; V5-V48 HydrophobicContact CG2-CB 4.47Å; V5-C50 VanDerWaalsContact CG1-SG 3.58Å; V5-V52 HydrophobicContact CB-CG2 4.26Å; V5-V52 HydrophobicContact CG1-CG2 3.75Å; V5-F55 HydrophobicContact CG1-CB 4.11Å; V5-F55 HydrophobicContact CG1-CG 4.32Å; V5-F55 HydrophobicContact CG2-CB 4.24Å; V5-F55 HydrophobicContact CG2-CD1 3.35Å; V5-F55 HydrophobicContact CG2-CD2 4.25Å; V5-F55 HydrophobicContact CG2-CE1 3.62Å; V5-F55 HydrophobicContact CG2-CG 3.68Å; V5-F55 HydrophobicContact CG2-CZ 4.21Å
6C91.9Very high90.1Very high21 Ų2169.8 Ų69.814%0.14238%0.375CS..EExtended strand (participates in β ladder)trans-113.9112.1179.1-65.60000110.2K13 V48 H49 C50C6-K13 HydrophobicContact CB-CG 4.47Å; C6-V48 PolarHBondContact N-O 2.86Å; C6-H49 CarbonylContact O-C 3.51Å; C6-H49 VanDerWaalsContact O-CA 3.31Å; C6-H49 WeakPolarHBondContact O-CA 3.49Å; C6-C50 PolarHBondContact O-N 3.23Å; C6-C50 VanDerWaalsContact O-N 3.09Å
7D92.6Very high90Very high9 Ų972.5 Ų72.55%0.04839%0.388CS..EExtended strand (participates in β ladder)trans-92.396.5169.2-175.1-23.8000108.5A9 K10 S11 L12 C50 V52D7-A9 VanDerWaalsContact C-N 3.3Å; D7-A9 PolarHBondContact O-N 3.08Å; D7-A9 WeakPolarHBondContact OD1-CB 2.99Å; D7-A9 PolarHBondContact OD1-N 2.84Å; D7-A9 VanDerWaalsContact OD1-N 3.1Å; D7-K10 PolarHBondContact O-N 2.98Å; D7-K10 PolarHBondContact OD1-N 3.22Å; D7-K10 VanDerWaalsContact OD2-CD 3.28Å; D7-K10 WeakPolarHBondContact OD2-CD 3.42Å; D7-K10 WeakPolarHBondContact OD2-CG 3.16Å; D7-K10 IonicContact OD2-NZ 2.75Å; D7-K10 PolarHBondContact OD2-NZ 2.97Å; D7-S11 VanDerWaalsContact O-CA 3.28Å; D7-S11 WeakPolarHBondContact O-CA 3.11Å; D7-S11 PolarHBondContact O-N 3.01Å; D7-L12 HydrophobicContact CB-CB 4.2Å; D7-L12 PolarHBondContact N-O 3.18Å; D7-L12 PolarHBondContact O-N 3.02Å; D7-C50 VanDerWaalsContact CA-O 3.29Å; D7-C50 WeakPolarHBondContact CA-O 3.49Å; D7-C50 WeakPolarHBondContact CB-O 3.46Å; D7-V52 HydrophobicContact CB-CB 4.31Å; D7-V52 HydrophobicContact CB-CG2 3.74Å
8E89.3Confident89.8Confident142 Ų14268.6 Ų68.666%0.66437%0.367SS*.THydrogen-bonded Turntrans-64.7-34.5180-65.3-178.8-17900112.5K10 S11 H49E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 3.37Å; E8-S11 PolarHBondContact O-N 3.07Å; E8-H49 IonicContact OE1-CE1 3.8Å; E8-H49 PolarHBondContact OE1-CE1 3.21Å; E8-H49 IonicContact OE1-CG 2.65Å; E8-H49 IonicContact OE1-ND1 3.57Å; E8-H49 PolarHBondContact OE1-ND1 3.16Å
9A87.3Confident89.7Confident98 Ų9868.4 Ų68.481%0.8137%0.37SS*.THydrogen-bonded Turntrans-68.6-35.3-177.600000111.9D7D7-A9 VanDerWaalsContact C-N 3.3Å; D7-A9 PolarHBondContact O-N 3.08Å; D7-A9 WeakPolarHBondContact OD1-CB 2.99Å; D7-A9 PolarHBondContact OD1-N 2.84Å; D7-A9 VanDerWaalsContact OD1-N 3.1Å
10K88.6Confident89.4Confident104 Ų10469.9 Ų69.945%0.45237%0.37SS..THydrogen-bonded Turntrans-102.5-1.6178.6-58.1-179-161146.40113.7D7 E8 L12 D51D7-K10 PolarHBondContact O-N 2.98Å; D7-K10 PolarHBondContact OD1-N 3.22Å; D7-K10 VanDerWaalsContact OD2-CD 3.28Å; D7-K10 WeakPolarHBondContact OD2-CD 3.42Å; D7-K10 WeakPolarHBondContact OD2-CG 3.16Å; D7-K10 IonicContact OD2-NZ 2.75Å; D7-K10 PolarHBondContact OD2-NZ 2.97Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 3.37Å; K10-L12 HydrophobicContact CB-CD1 3.86Å; K10-L12 HydrophobicContact CB-CG 3.89Å; K10-L12 HydrophobicContact CD-CD1 4.21Å; K10-L12 PolarHBondContact O-N 3.08Å; K10-D51 IonicContact NZ-OD1 3.43Å; K10-D51 PolarHBondContact NZ-OD1 3.38Å; K10-D51 VanDerWaalsContact NZ-OD1 3.12Å; K10-D51 IonicContact NZ-OD2 2.66Å; K10-D51 PolarHBondContact NZ-OD2 2.95Å
11S89.4Confident89.3Confident110 Ų11072.3 Ų72.377%0.76938%0.383SS*.THydrogen-bonded Turntrans53.739.5-174-57.70000112.7D7 E8D7-S11 VanDerWaalsContact O-CA 3.28Å; D7-S11 WeakPolarHBondContact O-CA 3.11Å; D7-S11 PolarHBondContact O-N 3.01Å; E8-S11 PolarHBondContact O-N 3.07Å
12L92.1Very high89.7Confident90 Ų9070.7 Ų70.747%0.47138%0.376SS..EExtended strand (participates in β ladder)trans-106145.1178.5-62.6173.7000110.5D7 K10 V52D7-L12 HydrophobicContact CB-CB 4.2Å; D7-L12 PolarHBondContact N-O 3.18Å; D7-L12 PolarHBondContact O-N 3.02Å; K10-L12 HydrophobicContact CB-CD1 3.86Å; K10-L12 HydrophobicContact CB-CG 3.89Å; K10-L12 HydrophobicContact CD-CD1 4.21Å; K10-L12 PolarHBondContact O-N 3.08Å; L12-V52 HydrophobicContact CB-CG2 4.29Å
13K92.8Very high89.8Confident173 Ų17367.9 Ų67.975%0.75236%0.358SS*.EExtended strand (participates in β ladder)trans-133.7130.1171.9-63.6-172.9178.7-174.60109V5 C6V5-K13 VanDerWaalsContact O-CA 3.29Å; V5-K13 WeakPolarHBondContact O-CA 3.47Å; C6-K13 HydrophobicContact CB-CG 4.47Å
14E93.7Very high89.7Confident87 Ų8770 Ų7041%0.40737%0.369SS..EExtended strand (participates in β ladder)trans-142.4141.5179.7-168.5173.9174.400110.2V5 F16 V52V5-E14 PolarHBondContact N-O 2.78Å; V5-E14 PolarHBondContact O-N 3.35Å; E14-F16 HydrophobicContact CB-CE2 3.85Å; E14-F16 HydrophobicContact CB-CZ 4.13Å; E14-F16 HydrophobicContact CG-CE1 4.49Å; E14-F16 HydrophobicContact CG-CE2 3.93Å; E14-F16 HydrophobicContact CG-CZ 3.85Å; E14-V52 HydrophobicContact CB-CG1 3.75Å; E14-V52 HydrophobicContact CB-CG2 4.42Å; E14-V52 HydrophobicContact CG-CG1 4.47Å; E14-V52 WeakPolarHBondContact OE2-CG1 3.32Å
15D92.4Very high89.6Confident98 Ų9871.3 Ų71.352%0.52438%0.384SS..EExtended strand (participates in β ladder)trans-103.3127.4-178.4-69.4-13.5000110.3V2 I3 H4V2-D15 HydrophobicContact CG1-CB 4.01Å; I3-D15 WeakPolarHBondContact O-CA 3.22Å; H4-D15 IonicContact CE1-OD1 3.64Å; H4-D15 IonicContact CE1-OD2 2.64Å; H4-D15 IonicContact CG-OD1 2.66Å; H4-D15 VanDerWaalsContact ND1-CG 3.33Å; H4-D15 IonicContact ND1-OD1 3.9Å; H4-D15 PolarHBondContact ND1-OD1 2.95Å; H4-D15 IonicContact ND1-OD2 3.86Å
16F90.2Very high89.5Confident11 Ų1173.5 Ų73.55%0.04839%0.394CS..EExtended strand (participates in β ladder)trans-111.8127.6-179.9-64-89.5000110.9I3 V5 E14 V52 F55 N56 I59I3-F16 HydrophobicContact CB-CB 4.46Å; I3-F16 PolarHBondContact N-O 3.42Å; I3-F16 PolarHBondContact O-N 3.33Å; V5-F16 HydrophobicContact CB-CD2 4.09Å; V5-F16 HydrophobicContact CB-CE2 3.84Å; V5-F16 HydrophobicContact CG2-CD2 3.45Å; V5-F16 VanDerWaalsContact CG2-CD2 3.45Å; V5-F16 HydrophobicContact CG2-CE2 3.63Å; E14-F16 HydrophobicContact CB-CE2 3.85Å; E14-F16 HydrophobicContact CB-CZ 4.13Å; E14-F16 HydrophobicContact CG-CE1 4.49Å; E14-F16 HydrophobicContact CG-CE2 3.93Å; E14-F16 HydrophobicContact CG-CZ 3.85Å; F16-V52 HydrophobicContact CE2-CG1 4.47Å; F16-V52 HydrophobicContact CZ-CG1 4.21Å; F16-F55 HydrophobicContact CB-CE1 4.23Å; F16-F55 AromaticContact CD2-CD1 3.69Å; F16-F55 HydrophobicContact CD2-CD1 3.69Å; F16-F55 HydrophobicContact CD2-CE1 4.05Å; F16-F55 AromaticContact CE2-CD1 3.95Å; F16-F55 HydrophobicContact CE2-CD1 3.95Å; F16-F55 AromaticContact CG-CD1 3.99Å; F16-F55 HydrophobicContact CG-CD1 3.99Å; F16-F55 HydrophobicContact CG-CE1 4.15Å; F16-F55 HydrophobicContact CZ-CD1 4.48Å; F16-N56 HydrophobicContact CE1-CB 3.61Å; F16-N56 HydrophobicContact CZ-CB 3.81Å; F16-I59 HydrophobicContact CB-CG1 4.16Å; F16-I59 HydrophobicContact CD1-CB 4.32Å; F16-I59 HydrophobicContact CD1-CG1 4.06Å; F16-I59 HydrophobicContact CD1-CG2 4.39Å; F16-I59 HydrophobicContact CG-CG1 4.2Å
17I88.1Confident89.5Confident116 Ų11672.5 Ų72.560%0.59539%0.387SS*.EExtended strand (participates in β ladder)trans-98.1119.4177.2-56.2176.2000109.3M1 K63M1-I17 WeakPolarHBondContact O-CA 3.46Å; I17-K63 VanDerWaalsContact O-CE 3.22Å; I17-K63 WeakPolarHBondContact O-CE 3.35Å; I17-K63 PolarHBondContact O-NZ 3.37Å
18C86.6Confident89.4Confident1 Ų176.9 Ų76.91%0.00741%0.406CS..  trans-134.1138.9176.5-164.50000111.1M1 I3 L23 I59M1-C18 PolarHBondContact N-O 3.42Å; M1-C18 PolarHBondContact O-N 3.29Å; I3-C18 HydrophobicContact CD1-CB 4.37Å; C18-L23 HydrophobicContact CB-CD1 4.46Å; C18-I59 HydrophobicContact CB-CD1 4.48Å
19P88Confident89.5Confident66 Ų6672.5 Ų72.543%0.42938%0.384SS..  trans-60.2137.2167.9-22.133.7000110.9L22 L23P19-L22 HydrophobicContact CB-CB 4.14Å; P19-L22 PolarHBondContact O-N 3.11Å; P19-L23 PolarHBondContact O-N 3.44Å
20R84.6Confident89.4Confident97 Ų9768.4 Ų68.437%0.36635%0.348SS..Hα-helixtrans-58.9-52.3-176.8172.9-177.8164.3-175.4-4.8111.8L22 L23 I24 W41R20-L22 PolarHBondContact O-N 3.07Å; R20-L23 PolarHBondContact O-N 2.77Å; R20-I24 HydrophobicContact CG-CG2 4.44Å; R20-I24 WeakPolarHBondContact O-CG1 3.15Å; R20-I24 PolarHBondContact O-N 3.27Å; R20-W41 VanDerWaalsContact NH1-CD2 3.33Å; R20-W41 VanDerWaalsContact NH1-CZ3 3.34Å; R20-W41 VanDerWaalsContact NH2-CZ3 3.3Å
21D86.4Confident89.2Confident122 Ų12265 Ų6565%0.65234%0.339SS*.Hα-helixtrans-58.1-39.1-175.7-57.7-32.4000111.1I24 S25D21-I24 WeakPolarHBondContact O-CG1 3.39Å; D21-S25 WeakPolarHBondContact O-CB 3.42Å; D21-S25 PolarHBondContact O-N 2.94Å; D21-S25 PolarHBondContact O-OG 3.25Å; D21-S25 VanDerWaalsContact O-OG 3.11Å
22L89.4Confident88.9Confident32 Ų3264.4 Ų64.417%0.16832%0.324CS..Hα-helixtrans-65.7-48.7175.3-174.266.2000111.4P19 R20 I24 S25 E26 V62 K63 T66P19-L22 HydrophobicContact CB-CB 4.14Å; P19-L22 PolarHBondContact O-N 3.11Å; R20-L22 PolarHBondContact O-N 3.07Å; L22-I24 PolarHBondContact O-N 3.04Å; L22-S25 WeakPolarHBondContact CA-OG 3.47Å; L22-S25 PolarHBondContact O-N 3.48Å; L22-S25 PolarHBondContact O-OG 3.36Å; L22-E26 HydrophobicContact CD1-CG 4.32Å; L22-E26 PolarHBondContact O-N 2.83Å; L22-V62 HydrophobicContact CD1-CG1 4.35Å; L22-V62 HydrophobicContact CD2-CG1 3.85Å; L22-V62 HydrophobicContact CG-CG1 3.63Å; L22-K63 HydrophobicContact CD2-CG 4.08Å; L22-T66 HydrophobicContact CD1-CG2 4.42Å; L22-T66 HydrophobicContact CD2-CG2 3.58Å
23L88.1Confident88.2Confident0 Ų067.1 Ų67.10%033%0.329CS..Hα-helixtrans-59.5-48.8-179.4-168.977.5000111.9M1 I3 C18 P19 R20 S25 E26 M27 F30 I59M1-L23 HydrophobicContact CE-CD2 3.17Å; M1-L23 HydrophobicContact CE-CG 4.47Å; I3-L23 HydrophobicContact CD1-CD1 3.9Å; I3-L23 HydrophobicContact CD1-CD2 3.83Å; C18-L23 HydrophobicContact CB-CD1 4.46Å; P19-L23 PolarHBondContact O-N 3.44Å; R20-L23 PolarHBondContact O-N 2.77Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 3.04Å; L23-E26 PolarHBondContact O-N 3.14Å; L23-M27 HydrophobicContact CD1-CE 4.4Å; L23-M27 HydrophobicContact CD1-CG 4.36Å; L23-M27 HydrophobicContact CD1-SD 3.5Å; L23-M27 WeakPolarHBondContact CD1-SD 3.46Å; L23-M27 HydrophobicContact CG-SD 4.35Å; L23-M27 WeakPolarHBondContact O-CA 3.44Å; L23-M27 VanDerWaalsContact O-CB 3.32Å; L23-M27 WeakPolarHBondContact O-CB 3.4Å; L23-M27 PolarHBondContact O-N 3.37Å; L23-F30 HydrophobicContact CD1-CD2 4.23Å; L23-F30 HydrophobicContact CD1-CE2 4.43Å; L23-F30 HydrophobicContact CD2-CB 4.24Å; L23-F30 HydrophobicContact CD2-CD2 3.79Å; L23-F30 HydrophobicContact CD2-CE2 4.28Å; L23-F30 HydrophobicContact CD2-CG 3.96Å; L23-F30 HydrophobicContact CG-CD2 3.91Å; L23-F30 HydrophobicContact CG-CG 4.42Å; L23-I59 HydrophobicContact CD1-CD1 4.47Å
24I88.1Confident87.3Confident45 Ų4559.6 Ų59.623%0.23130%0.297CS..Hα-helixtrans-70-28.9-179.465.7-177.7000112.3R20 D21 L22 A31 L34R20-I24 HydrophobicContact CG-CG2 4.44Å; R20-I24 WeakPolarHBondContact O-CG1 3.15Å; R20-I24 PolarHBondContact O-N 3.27Å; D21-I24 WeakPolarHBondContact O-CG1 3.39Å; L22-I24 PolarHBondContact O-N 3.04Å; I24-A31 HydrophobicContact CB-CB 4.03Å; I24-L34 HydrophobicContact CG2-CD1 3.72Å
25S88.9Confident86Confident74 Ų7459.8 Ų59.852%0.51731%0.308SS..Hα-helixtrans-71-35.9177.271.30000112.7D21 L22 L23D21-S25 WeakPolarHBondContact O-CB 3.42Å; D21-S25 PolarHBondContact O-N 2.94Å; D21-S25 PolarHBondContact O-OG 3.25Å; D21-S25 VanDerWaalsContact O-OG 3.11Å; L22-S25 WeakPolarHBondContact CA-OG 3.47Å; L22-S25 PolarHBondContact O-N 3.48Å; L22-S25 PolarHBondContact O-OG 3.36Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 3.04Å
26E90.7Very high84.5Confident47 Ų4762.3 Ų62.322%0.2232%0.318CS..Hα-helixtrans-97.7-28.6-176.3-69.5-78.7140.600113.1L22 L23 V62 R64 M94L22-E26 HydrophobicContact CD1-CG 4.32Å; L22-E26 PolarHBondContact O-N 2.83Å; L23-E26 PolarHBondContact O-N 3.14Å; E26-V62 HydrophobicContact CB-CB 4.43Å; E26-V62 HydrophobicContact CB-CG1 4.06Å; E26-V62 HydrophobicContact CB-CG2 3.79Å; E26-V62 HydrophobicContact CG-CG1 4.11Å; E26-V62 HydrophobicContact CG-CG2 4.41Å; E26-R64 IonicContact OE1-NH2 2.82Å; E26-R64 IonicContact OE2-CZ 3.71Å; E26-R64 VanDerWaalsContact OE2-CZ 3.27Å; E26-R64 IonicContact OE2-NH1 3.56Å; E26-R64 PolarHBondContact OE2-NH1 2.87Å; E26-R64 IonicContact OE2-NH2 3.27Å; E26-R64 PolarHBondContact OE2-NH2 3Å; E26-M94 WeakPolarHBondContact O-CG 3.26Å
27M92.1Very high82.8Confident0 Ų065.9 Ų65.90%034%0.338CS..  trans-118.989.7-179-61.2-176.4172.400110.4L23 Y29 F30 A31 L58 V62 L92 M94L23-M27 HydrophobicContact CD1-CE 4.4Å; L23-M27 HydrophobicContact CD1-CG 4.36Å; L23-M27 HydrophobicContact CD1-SD 3.5Å; L23-M27 WeakPolarHBondContact CD1-SD 3.46Å; L23-M27 HydrophobicContact CG-SD 4.35Å; L23-M27 WeakPolarHBondContact O-CA 3.44Å; L23-M27 VanDerWaalsContact O-CB 3.32Å; L23-M27 WeakPolarHBondContact O-CB 3.4Å; L23-M27 PolarHBondContact O-N 3.37Å; M27-Y29 PolarHBondContact O-N 2.82Å; M27-F30 HydrophobicContact CB-CD2 3.75Å; M27-F30 HydrophobicContact CB-CE2 4.46Å; M27-F30 HydrophobicContact CG-CD2 4.44Å; M27-F30 PolarHBondContact O-N 2.77Å; M27-F30 VanDerWaalsContact O-N 3.07Å; M27-F30 HydrophobicContact SD-CD2 3.8Å; M27-F30 HydrophobicContact SD-CE2 3.63Å; M27-A31 PolarHBondContact O-N 2.77Å; M27-L58 HydrophobicContact CE-CB 4.01Å; M27-V62 HydrophobicContact CE-CG2 3.73Å; M27-V62 HydrophobicContact CG-CG2 4.28Å; M27-L92 CarbonylContact C-O 3.56Å; M27-L92 HydrophobicContact CE-CD1 3.92Å; M27-L92 HydrophobicContact CG-CB 4.45Å; M27-L92 HydrophobicContact SD-CD1 4Å; M27-L92 HydrophobicContact SD-CD2 4.43Å; M27-M94 HydrophobicContact CB-CG 4.49Å; M27-M94 HydrophobicContact CE-CE 4.16Å; M27-M94 HydrophobicContact CE-SD 3.87Å; M27-M94 HydrophobicContact CG-CE 4.18Å; M27-M94 HydrophobicContact CG-CG 3.93Å; M27-M94 HydrophobicContact CG-SD 3.86Å
28K90.9Very high81.3Confident101 Ų10164.6 Ų64.644%0.43935%0.345SS..Hα-helixtrans-64.6-23.8-173.5-60.8175.1178.3175.80113.6F30 A31 E32 L92 K93 D95K28-F30 VanDerWaalsContact C-N 3.31Å; K28-F30 PolarHBondContact O-N 3.36Å; K28-A31 WeakPolarHBondContact O-CB 3.34Å; K28-A31 PolarHBondContact O-N 2.78Å; K28-A31 VanDerWaalsContact O-N 3.13Å; K28-E32 PolarHBondContact O-N 3.29Å; K28-L92 PolarHBondContact N-O 3Å; K28-K93 HydrophobicContact CB-CB 3.78Å; K28-K93 HydrophobicContact CB-CD 4.46Å; K28-D95 IonicContact NZ-OD2 2.77Å; K28-D95 PolarHBondContact NZ-OD2 2.83Å
29Y90.4Very high79.7Confident51 Ų5173.8 Ų73.820%0.239%0.388CS..Hα-helixtrans-53-52170.9176.8-91.1000110.3M27 A31 E32 Y33 F91 L92M27-Y29 PolarHBondContact O-N 2.82Å; Y29-A31 VanDerWaalsContact C-N 3.28Å; Y29-A31 PolarHBondContact O-N 3Å; Y29-E32 PolarHBondContact O-N 2.9Å; Y29-Y33 HydrophobicContact CD1-CD2 4.07Å; Y29-Y33 HydrophobicContact CD1-CE2 4.24Å; Y29-Y33 HydrophobicContact CD2-CD2 4.35Å; Y29-Y33 AromaticContact CD2-CE2 3.86Å; Y29-Y33 HydrophobicContact CD2-CE2 3.86Å; Y29-Y33 AromaticContact CE1-CD2 3.74Å; Y29-Y33 HydrophobicContact CE1-CD2 3.74Å; Y29-Y33 AromaticContact CE1-CE2 3.7Å; Y29-Y33 HydrophobicContact CE1-CE2 3.7Å; Y29-Y33 HydrophobicContact CE2-CD2 4.06Å; Y29-Y33 AromaticContact CE2-CE2 3.28Å; Y29-Y33 HydrophobicContact CE2-CE2 3.28Å; Y29-Y33 AromaticContact CE2-CZ 3.99Å; Y29-Y33 HydrophobicContact CG-CD2 4.35Å; Y29-Y33 HydrophobicContact CG-CE2 4.31Å; Y29-Y33 AromaticContact CZ-CD2 3.73Å; Y29-Y33 AromaticContact CZ-CE2 3.17Å; Y29-Y33 AromaticContact CZ-CZ 3.72Å; Y29-Y33 VanDerWaalsContact O-CD2 3.31Å; Y29-Y33 WeakPolarHBondContact O-CD2 3.47Å; Y29-Y33 PolarHBondContact O-N 2.96Å; Y29-Y33 WeakPolarHBondContact OH-CE2 2.79Å; Y29-Y33 PolarHBondContact OH-OH 2.89Å; Y29-F91 HydrophobicContact CD2-CE1 4.32Å; Y29-F91 HydrophobicContact CD2-CZ 4.47Å; Y29-F91 HydrophobicContact CE1-CE1 4.26Å; Y29-F91 AromaticContact CE2-CE1 3.92Å; Y29-F91 HydrophobicContact CE2-CE1 3.92Å; Y29-F91 HydrophobicContact CE2-CE2 4.44Å; Y29-F91 AromaticContact CE2-CZ 3.75Å; Y29-F91 HydrophobicContact CE2-CZ 3.75Å; Y29-F91 AromaticContact CZ-CE1 3.9Å; Y29-F91 AromaticContact CZ-CZ 3.87Å; Y29-L92 WeakPolarHBondContact CB-O 3.16Å; Y29-L92 HydrophobicContact CD1-CD2 4.31Å; Y29-L92 PolarHBondContact N-O 3.43Å
30F86Confident78Confident12 Ų1279.2 Ų79.25%0.05340%0.399CS..Hα-helixtrans-65.8-31.1178.9-69.5-63.1000112.7L23 M27 K28 E32 Y33 L34 I46 V48 L92L23-F30 HydrophobicContact CD1-CD2 4.23Å; L23-F30 HydrophobicContact CD1-CE2 4.43Å; L23-F30 HydrophobicContact CD2-CB 4.24Å; L23-F30 HydrophobicContact CD2-CD2 3.79Å; L23-F30 HydrophobicContact CD2-CE2 4.28Å; L23-F30 HydrophobicContact CD2-CG 3.96Å; L23-F30 HydrophobicContact CG-CD2 3.91Å; L23-F30 HydrophobicContact CG-CG 4.42Å; M27-F30 HydrophobicContact CB-CD2 3.75Å; M27-F30 HydrophobicContact CB-CE2 4.46Å; M27-F30 HydrophobicContact CG-CD2 4.44Å; M27-F30 PolarHBondContact O-N 2.77Å; M27-F30 VanDerWaalsContact O-N 3.07Å; M27-F30 HydrophobicContact SD-CD2 3.8Å; M27-F30 HydrophobicContact SD-CE2 3.63Å; K28-F30 VanDerWaalsContact C-N 3.31Å; K28-F30 PolarHBondContact O-N 3.36Å; F30-E32 VanDerWaalsContact C-N 3.31Å; F30-E32 PolarHBondContact O-N 3.34Å; F30-Y33 PolarHBondContact O-N 3.29Å; F30-L34 HydrophobicContact CB-CD1 4.14Å; F30-L34 WeakPolarHBondContact O-CB 3.4Å; F30-L34 WeakPolarHBondContact O-CG 3.18Å; F30-L34 PolarHBondContact O-N 3.24Å; F30-I46 HydrophobicContact CD1-CD1 4.23Å; F30-I46 HydrophobicContact CE1-CD1 4.33Å; F30-I46 HydrophobicContact CE1-CG2 3.68Å; F30-I46 HydrophobicContact CZ-CG2 4.24Å; F30-V48 HydrophobicContact CZ-CG2 4.13Å; F30-L92 HydrophobicContact CD2-CD2 4.32Å; F30-L92 HydrophobicContact CE2-CD2 3.63Å; F30-L92 HydrophobicContact CZ-CD2 4.06Å
31A85.2Confident76.6Confident33 Ų3377.9 Ų77.927%0.27340%0.395SS..Hα-helixtrans-59.4-43.1175.500000111.8I24 M27 K28 Y29 S35I24-A31 HydrophobicContact CB-CB 4.03Å; M27-A31 PolarHBondContact O-N 2.77Å; K28-A31 WeakPolarHBondContact O-CB 3.34Å; K28-A31 PolarHBondContact O-N 2.78Å; K28-A31 VanDerWaalsContact O-N 3.13Å; Y29-A31 VanDerWaalsContact C-N 3.28Å; Y29-A31 PolarHBondContact O-N 3Å; A31-S35 WeakPolarHBondContact O-CB 3.4Å; A31-S35 PolarHBondContact O-N 3.07Å; A31-S35 PolarHBondContact O-OG 2.64Å
32E83Confident75.1Confident96 Ų9681.8 Ų81.845%0.44941%0.409SS..Hα-helixtrans-63.4-47.5178.3-68.9171.7-171.500111.7K28 Y29 F30 S35 K93K28-E32 PolarHBondContact O-N 3.29Å; Y29-E32 PolarHBondContact O-N 2.9Å; F30-E32 VanDerWaalsContact C-N 3.31Å; F30-E32 PolarHBondContact O-N 3.34Å; E32-S35 PolarHBondContact O-OG 2.92Å; E32-K93 IonicContact OE1-NZ 3.12Å; E32-K93 PolarHBondContact OE1-NZ 3.5Å; E32-K93 IonicContact OE2-NZ 3.67Å; E32-K93 PolarHBondContact OE2-NZ 3.5Å
33Y76.7Confident73.4Confident147 Ų14788.5 Ų88.558%0.57644%0.439SS*.Hα-helixtrans-69.8-36.9-179.9-78.7-90.5000113.4Y29 F30Y29-Y33 HydrophobicContact CD1-CD2 4.07Å; Y29-Y33 HydrophobicContact CD1-CE2 4.24Å; Y29-Y33 HydrophobicContact CD2-CD2 4.35Å; Y29-Y33 AromaticContact CD2-CE2 3.86Å; Y29-Y33 HydrophobicContact CD2-CE2 3.86Å; Y29-Y33 AromaticContact CE1-CD2 3.74Å; Y29-Y33 HydrophobicContact CE1-CD2 3.74Å; Y29-Y33 AromaticContact CE1-CE2 3.7Å; Y29-Y33 HydrophobicContact CE1-CE2 3.7Å; Y29-Y33 HydrophobicContact CE2-CD2 4.06Å; Y29-Y33 AromaticContact CE2-CE2 3.28Å; Y29-Y33 HydrophobicContact CE2-CE2 3.28Å; Y29-Y33 AromaticContact CE2-CZ 3.99Å; Y29-Y33 HydrophobicContact CG-CD2 4.35Å; Y29-Y33 HydrophobicContact CG-CE2 4.31Å; Y29-Y33 AromaticContact CZ-CD2 3.73Å; Y29-Y33 AromaticContact CZ-CE2 3.17Å; Y29-Y33 AromaticContact CZ-CZ 3.72Å; Y29-Y33 VanDerWaalsContact O-CD2 3.31Å; Y29-Y33 WeakPolarHBondContact O-CD2 3.47Å; Y29-Y33 PolarHBondContact O-N 2.96Å; Y29-Y33 WeakPolarHBondContact OH-CE2 2.79Å; Y29-Y33 PolarHBondContact OH-OH 2.89Å; F30-Y33 PolarHBondContact O-N 3.29Å
34L73.7Confident72.3Confident15 Ų1591.5 Ų91.58%0.07946%0.457CS..Hα-helixtrans-80.3-32.6-176.3-69.6175.5000111.5M1 I24 F30 M36 W41 V44 I46M1-L34 HydrophobicContact CE-CD1 4.35Å; I24-L34 HydrophobicContact CG2-CD1 3.72Å; F30-L34 HydrophobicContact CB-CD1 4.14Å; F30-L34 WeakPolarHBondContact O-CB 3.4Å; F30-L34 WeakPolarHBondContact O-CG 3.18Å; F30-L34 PolarHBondContact O-N 3.24Å; L34-M36 PolarHBondContact O-N 3.42Å; L34-W41 HydrophobicContact CB-CH2 4.02Å; L34-W41 HydrophobicContact CB-CZ3 3.81Å; L34-W41 HydrophobicContact CD2-CZ3 4.03Å; L34-W41 HydrophobicContact CG-CZ3 4.4Å; L34-W41 WeakPolarHBondContact O-CH2 3.3Å; L34-W41 WeakPolarHBondContact O-CZ2 3.36Å; L34-V44 HydrophobicContact CD2-CG1 4.42Å; L34-I46 HydrophobicContact CD1-CD1 4.46Å; L34-I46 HydrophobicContact CD2-CD1 4.39Å
35S66.9Low71.3Confident91 Ų9195.3 Ų95.364%0.63648%0.478SS*.THydrogen-bonded Turntrans-60.3-10.4-176.160.70000116.3A31 E32A31-S35 WeakPolarHBondContact O-CB 3.4Å; A31-S35 PolarHBondContact O-N 3.07Å; A31-S35 PolarHBondContact O-OG 2.64Å; E32-S35 PolarHBondContact O-OG 2.92Å
36M60.1Low71Confident151 Ų15192.6 Ų92.674%0.74446%0.458SS*.THydrogen-bonded Turntrans-82.9-19-169.3-66-174.169.100116.4L34L34-M36 PolarHBondContact O-N 3.42Å
37D55.8Low70.8Confident86 Ų8693.6 Ų93.646%0.4647%0.47SS..  trans-149.398.1-176.6-88.7-37.4000114.7Q39 R40 W41D37-Q39 PolarHBondContact O-N 2.9Å; D37-R40 HydrophobicContact CB-CB 4.48Å; D37-R40 IonicContact OD2-NH1 3.46Å; D37-W41 VanDerWaalsContact O-CZ2 3.3Å; D37-W41 WeakPolarHBondContact O-CZ2 3.39Å; D37-W41 PolarHBondContact O-NE1 3.27Å
38A55.2Low70.5Confident90 Ų9095 Ų9574%0.74448%0.478SS*.THydrogen-bonded Turntrans-60.2-4179.400000116.4W41A38-W41 PolarHBondContact O-NE1 3.18Å
39Q53.3Low70.4Confident194 Ų19495.9 Ų95.991%0.90748%0.484SS*.THydrogen-bonded Turntrans-123.9-2.1-174.4-83.5164.4-3700116.2D37D37-Q39 PolarHBondContact O-N 2.9Å
40R53.3Low70.3Confident179 Ų17995 Ų9568%0.67549%0.485SS*.  trans-101.39.1-178.5-83.1178.1168.9165.9-6.6115.3D37 E42 E43 V44D37-R40 HydrophobicContact CB-CB 4.48Å; D37-R40 IonicContact OD2-NH1 3.46Å; R40-E42 PolarHBondContact O-N 3.07Å; R40-E43 PolarHBondContact O-N 2.75Å; R40-V44 WeakPolarHBondContact O-CG2 3.13Å
41W53.6Low70.6Confident70 Ų7097.1 Ų97.127%0.26550%0.497SS..G310 helixtrans-70.5-25.4-162.5-57.392.2000117.4R20 L34 D37 A38 E43R20-W41 VanDerWaalsContact NH1-CD2 3.33Å; R20-W41 VanDerWaalsContact NH1-CZ3 3.34Å; R20-W41 VanDerWaalsContact NH2-CZ3 3.3Å; L34-W41 HydrophobicContact CB-CH2 4.02Å; L34-W41 HydrophobicContact CB-CZ3 3.81Å; L34-W41 HydrophobicContact CD2-CZ3 4.03Å; L34-W41 HydrophobicContact CG-CZ3 4.4Å; L34-W41 WeakPolarHBondContact O-CH2 3.3Å; L34-W41 WeakPolarHBondContact O-CZ2 3.36Å; D37-W41 VanDerWaalsContact O-CZ2 3.3Å; D37-W41 WeakPolarHBondContact O-CZ2 3.39Å; D37-W41 PolarHBondContact O-NE1 3.27Å; A38-W41 PolarHBondContact O-NE1 3.18Å; W41-E43 PolarHBondContact O-N 2.97Å
42E55.3Low71Confident203 Ų20395.9 Ų95.995%0.94949%0.486SS*.G310 helixtrans-76.3-8.6-177.5-69.1-178.8168.500112.1R40R40-E42 PolarHBondContact O-N 3.07Å
43E54.3Low71.4Confident173 Ų17396.9 Ų96.981%0.80849%0.49SS*.G310 helixtrans-125.78.3-175.1-65.2-177.4167.200114.7R40 W41 D45R40-E43 PolarHBondContact O-N 2.75Å; W41-E43 PolarHBondContact O-N 2.97Å; E43-D45 PolarHBondContact O-N 3.47Å; E43-D45 VanDerWaalsContact O-N 3.09Å
44V64.6Low72.2Confident63 Ų6390.4 Ų90.438%0.38247%0.465SS..  trans-81.295.8179.6-173.30000110.8L34 R40 I46L34-V44 HydrophobicContact CD2-CG1 4.42Å; R40-V44 WeakPolarHBondContact O-CG2 3.13Å; V44-I46 HydrophobicContact CG1-CG1 4.17Å; V44-I46 PolarHBondContact O-N 3.32Å
45D68.4Low73.2Confident125 Ų12589.8 Ų89.867%0.66846%0.462SS*.  trans-76106.9167.4-74.1-30.4000110.1H4 E43 S47H4-D45 IonicContact NE2-OD1 3.29Å; E43-D45 PolarHBondContact O-N 3.47Å; E43-D45 VanDerWaalsContact O-N 3.09Å; D45-S47 PolarHBondContact O-N 3.35Å
46I82.3Confident74.4Confident17 Ų1787.3 Ų87.39%0.08744%0.442CS..EExtended strand (participates in β ladder)trans-83.7112.6173.7-57-174.5000108.3M1 I3 H4 F30 L34 V44 V48M1-I46 HydrophobicContact CE-CD1 3.35Å; M1-I46 HydrophobicContact SD-CD1 3.57Å; M1-I46 VanDerWaalsContact SD-CD1 3.57Å; M1-I46 HydrophobicContact SD-CG1 4.34Å; I3-I46 CarbonylContact C-O 3.48Å; I3-I46 HydrophobicContact CG2-CB 4.42Å; I3-I46 HydrophobicContact CG2-CG2 3.99Å; H4-I46 PolarHBondContact N-O 3.13Å; F30-I46 HydrophobicContact CD1-CD1 4.23Å; F30-I46 HydrophobicContact CE1-CD1 4.33Å; F30-I46 HydrophobicContact CE1-CG2 3.68Å; F30-I46 HydrophobicContact CZ-CG2 4.24Å; L34-I46 HydrophobicContact CD1-CD1 4.46Å; L34-I46 HydrophobicContact CD2-CD1 4.39Å; V44-I46 HydrophobicContact CG1-CG1 4.17Å; V44-I46 PolarHBondContact O-N 3.32Å; I46-V48 HydrophobicContact CG2-CG2 3.99Å
47S85.2Confident76Confident69 Ų6981 Ų8148%0.48341%0.41SS..EExtended strand (participates in β ladder)trans-108.7128.3170.8-63.70000110.7H4 D45H4-S47 CarbonylContact O-C 3.57Å; H4-S47 VanDerWaalsContact O-CA 3.26Å; H4-S47 WeakPolarHBondContact O-CA 3.29Å; D45-S47 PolarHBondContact O-N 3.35Å
48V86.4Confident77.9Confident28 Ų2877 Ų7717%0.1739%0.389CS..EExtended strand (participates in β ladder)trans-121.9126.4-179.5-174.50000109.3I3 H4 V5 C6 F30 I46 C50 F55I3-V48 HydrophobicContact CG2-CG2 3.84Å; H4-V48 PolarHBondContact O-N 3.4Å; V5-V48 CarbonylContact C-O 3.5Å; V5-V48 VanDerWaalsContact CA-O 3.31Å; V5-V48 WeakPolarHBondContact CA-O 3.37Å; V5-V48 HydrophobicContact CG2-CB 4.47Å; C6-V48 PolarHBondContact N-O 2.86Å; F30-V48 HydrophobicContact CZ-CG2 4.13Å; I46-V48 HydrophobicContact CG2-CG2 3.99Å; V48-C50 HydrophobicContact CG1-CB 4.29Å; V48-F55 HydrophobicContact CG1-CD2 4.43Å; V48-F55 HydrophobicContact CG1-CE2 4.26Å; V48-F55 HydrophobicContact CG2-CE2 4.35Å
49H88.5Confident79.6Confident121 Ų12173.1 Ų73.156%0.5636%0.355SS*.EExtended strand (participates in β ladder)trans-96.298.6177-66.4-108.8000109.2C6 E8C6-H49 CarbonylContact O-C 3.51Å; C6-H49 VanDerWaalsContact O-CA 3.31Å; C6-H49 WeakPolarHBondContact O-CA 3.49Å; E8-H49 IonicContact OE1-CE1 3.8Å; E8-H49 PolarHBondContact OE1-CE1 3.21Å; E8-H49 IonicContact OE1-CG 2.65Å; E8-H49 IonicContact OE1-ND1 3.57Å; E8-H49 PolarHBondContact OE1-ND1 3.16Å
50C89.4Confident81.5Confident33 Ų3368.8 Ų68.822%0.22333%0.333CS..SBendtrans-160.5174.7-179.772.40000111.9V5 C6 D7 V48 V52V5-C50 VanDerWaalsContact CG1-SG 3.58Å; C6-C50 PolarHBondContact O-N 3.23Å; C6-C50 VanDerWaalsContact O-N 3.09Å; D7-C50 VanDerWaalsContact CA-O 3.29Å; D7-C50 WeakPolarHBondContact CA-O 3.49Å; D7-C50 WeakPolarHBondContact CB-O 3.46Å; V48-C50 HydrophobicContact CG1-CB 4.29Å; C50-V52 PolarHBondContact O-N 3.35Å; C50-V52 VanDerWaalsContact O-N 3.16Å
51D91.4Very high83.3Confident55 Ų5560.6 Ų60.629%0.29430%0.302SS..  trans-62.4115.7172.6-171.9-46.7000110.2K10 H53 I54 F55K10-D51 IonicContact NZ-OD1 3.43Å; K10-D51 PolarHBondContact NZ-OD1 3.38Å; K10-D51 VanDerWaalsContact NZ-OD1 3.12Å; K10-D51 IonicContact NZ-OD2 2.66Å; K10-D51 PolarHBondContact NZ-OD2 2.95Å; D51-H53 PolarHBondContact O-N 3.04Å; D51-H53 WeakPolarHBondContact OD1-CA 3.43Å; D51-H53 VanDerWaalsContact OD1-CB 3.26Å; D51-H53 WeakPolarHBondContact OD1-CB 3.5Å; D51-H53 PolarHBondContact OD1-N 3.38Å; D51-I54 HydrophobicContact CB-CB 4.16Å; D51-I54 HydrophobicContact CB-CG1 3.86Å; D51-I54 PolarHBondContact O-N 3.01Å; D51-I54 VanDerWaalsContact O-N 3.14Å; D51-I54 PolarHBondContact OD1-N 3.45Å; D51-F55 PolarHBondContact O-N 2.94Å
52V92.8Very high85.1Confident8 Ų857.3 Ų57.35%0.04829%0.29CS..Hα-helixtrans-57.6-36.2-177.6163.60000111.8V5 D7 L12 E14 F16 C50 F55 N56V5-V52 HydrophobicContact CB-CG2 4.26Å; V5-V52 HydrophobicContact CG1-CG2 3.75Å; D7-V52 HydrophobicContact CB-CB 4.31Å; D7-V52 HydrophobicContact CB-CG2 3.74Å; L12-V52 HydrophobicContact CB-CG2 4.29Å; E14-V52 HydrophobicContact CB-CG1 3.75Å; E14-V52 HydrophobicContact CB-CG2 4.42Å; E14-V52 HydrophobicContact CG-CG1 4.47Å; E14-V52 WeakPolarHBondContact OE2-CG1 3.32Å; F16-V52 HydrophobicContact CE2-CG1 4.47Å; F16-V52 HydrophobicContact CZ-CG1 4.21Å; C50-V52 PolarHBondContact O-N 3.35Å; C50-V52 VanDerWaalsContact O-N 3.16Å; V52-F55 PolarHBondContact O-N 3.1Å; V52-N56 WeakPolarHBondContact O-CB 3.44Å; V52-N56 PolarHBondContact O-N 2.81Å
53H92.2Very high86.7Confident116 Ų11649.9 Ų49.954%0.53726%0.255SS..Hα-helixtrans-69.3-40.3-180-174.672.9000111.8D51 N56 W57D51-H53 PolarHBondContact O-N 3.04Å; D51-H53 WeakPolarHBondContact OD1-CA 3.43Å; D51-H53 VanDerWaalsContact OD1-CB 3.26Å; D51-H53 WeakPolarHBondContact OD1-CB 3.5Å; D51-H53 PolarHBondContact OD1-N 3.38Å; H53-N56 PolarHBondContact O-N 3.35Å; H53-W57 PolarHBondContact O-N 3.28Å
54I93.7Very high88.3Confident11 Ų1143.7 Ų43.76%0.05622%0.224CC..Hα-helixtrans-66.4-42.3175.5-58.9-60.2000110.1D51 N56 W57 L58 N81 I85D51-I54 HydrophobicContact CB-CB 4.16Å; D51-I54 HydrophobicContact CB-CG1 3.86Å; D51-I54 PolarHBondContact O-N 3.01Å; D51-I54 VanDerWaalsContact O-N 3.14Å; D51-I54 PolarHBondContact OD1-N 3.45Å; I54-N56 PolarHBondContact O-N 3.35Å; I54-W57 WeakPolarHBondContact O-CB 3.32Å; I54-W57 PolarHBondContact O-N 2.9Å; I54-L58 HydrophobicContact CG2-CD1 4.32Å; I54-L58 WeakPolarHBondContact O-CG 3.45Å; I54-L58 PolarHBondContact O-N 3.37Å; I54-N81 HydrophobicContact CD1-CB 4.24Å; I54-I85 HydrophobicContact CD1-CG1 4.26Å; I54-I85 HydrophobicContact CG2-CG1 4.28Å
55F93.8Very high89.1Confident2 Ų246.7 Ų46.71%0.00924%0.238CC..Hα-helixtrans-64.4-41.5177.4-159.5-92000112.4I3 V5 F16 V48 D51 V52 W57 L58 I59I3-F55 HydrophobicContact CB-CE1 4.46Å; I3-F55 HydrophobicContact CD1-CE1 4.36Å; I3-F55 HydrophobicContact CD1-CZ 4.21Å; I3-F55 HydrophobicContact CG2-CE1 3.97Å; I3-F55 HydrophobicContact CG2-CZ 3.79Å; V5-F55 HydrophobicContact CG1-CB 4.11Å; V5-F55 HydrophobicContact CG1-CG 4.32Å; V5-F55 HydrophobicContact CG2-CB 4.24Å; V5-F55 HydrophobicContact CG2-CD1 3.35Å; V5-F55 HydrophobicContact CG2-CD2 4.25Å; V5-F55 HydrophobicContact CG2-CE1 3.62Å; V5-F55 HydrophobicContact CG2-CG 3.68Å; V5-F55 HydrophobicContact CG2-CZ 4.21Å; F16-F55 HydrophobicContact CB-CE1 4.23Å; F16-F55 AromaticContact CD2-CD1 3.69Å; F16-F55 HydrophobicContact CD2-CD1 3.69Å; F16-F55 HydrophobicContact CD2-CE1 4.05Å; F16-F55 AromaticContact CE2-CD1 3.95Å; F16-F55 HydrophobicContact CE2-CD1 3.95Å; F16-F55 AromaticContact CG-CD1 3.99Å; F16-F55 HydrophobicContact CG-CD1 3.99Å; F16-F55 HydrophobicContact CG-CE1 4.15Å; F16-F55 HydrophobicContact CZ-CD1 4.48Å; V48-F55 HydrophobicContact CG1-CD2 4.43Å; V48-F55 HydrophobicContact CG1-CE2 4.26Å; V48-F55 HydrophobicContact CG2-CE2 4.35Å; D51-F55 PolarHBondContact O-N 2.94Å; V52-F55 PolarHBondContact O-N 3.1Å; F55-W57 VanDerWaalsContact C-N 3.31Å; F55-W57 PolarHBondContact O-N 3.4Å; F55-L58 WeakPolarHBondContact O-CB 3.34Å; F55-L58 PolarHBondContact O-N 2.85Å; F55-L58 VanDerWaalsContact O-N 3.11Å; F55-I59 HydrophobicContact CD1-CD1 4.34Å; F55-I59 HydrophobicContact CD1-CG1 3.69Å; F55-I59 HydrophobicContact CE1-CD1 3.64Å; F55-I59 HydrophobicContact CE1-CG1 3.5Å; F55-I59 VanDerWaalsContact CE1-CG1 3.5Å; F55-I59 HydrophobicContact CZ-CD1 4.12Å; F55-I59 HydrophobicContact CZ-CG1 4.36Å; F55-I59 WeakPolarHBondContact O-CG1 3.41Å; F55-I59 PolarHBondContact O-N 2.94Å
56N92.9Very high89.8Confident40 Ų4042.4 Ų42.421%0.21422%0.216CC..Hα-helixtrans-57.7-44.3173-174.320.9000111.7F16 V52 H53 I54 L58 I59 K60F16-N56 HydrophobicContact CE1-CB 3.61Å; F16-N56 HydrophobicContact CZ-CB 3.81Å; V52-N56 WeakPolarHBondContact O-CB 3.44Å; V52-N56 PolarHBondContact O-N 2.81Å; H53-N56 PolarHBondContact O-N 3.35Å; I54-N56 PolarHBondContact O-N 3.35Å; N56-L58 VanDerWaalsContact C-N 3.32Å; N56-L58 PolarHBondContact O-N 3.47Å; N56-I59 PolarHBondContact O-N 3.11Å; N56-K60 WeakPolarHBondContact O-CG 3.41Å; N56-K60 PolarHBondContact O-N 3.4Å
57W94.7Very high89.2Confident19 Ų1950.6 Ų50.67%0.07225%0.251CS..Hα-helixtrans-57.1-45.9174.3-169.5108.4000111.2H53 I54 F55 I59 K60 Y61 P75 A76 L77 I85 L97H53-W57 PolarHBondContact O-N 3.28Å; I54-W57 WeakPolarHBondContact O-CB 3.32Å; I54-W57 PolarHBondContact O-N 2.9Å; F55-W57 VanDerWaalsContact C-N 3.31Å; F55-W57 PolarHBondContact O-N 3.4Å; W57-I59 PolarHBondContact O-N 3.16Å; W57-K60 PolarHBondContact O-N 2.87Å; W57-Y61 AromaticContact CH2-CD2 3.85Å; W57-Y61 HydrophobicContact CH2-CD2 3.85Å; W57-Y61 HydrophobicContact CH2-CG 4.22Å; W57-Y61 HydrophobicContact CZ3-CD2 4Å; W57-Y61 AromaticContact CZ3-CG 3.88Å; W57-Y61 HydrophobicContact CZ3-CG 3.88Å; W57-Y61 WeakPolarHBondContact O-CB 3.44Å; W57-Y61 PolarHBondContact O-N 3.23Å; W57-P75 HydrophobicContact CD2-CB 4.05Å; W57-P75 HydrophobicContact CD2-CG 4.17Å; W57-P75 HydrophobicContact CG-CB 4.03Å; W57-P75 HydrophobicContact CZ2-CB 4.2Å; W57-P75 HydrophobicContact CZ2-CG 4.19Å; W57-P75 WeakPolarHBondContact CZ2-O 3.13Å; W57-A76 PolarHBondContact NE1-O 3.49Å; W57-L77 HydrophobicContact CH2-CD2 3.74Å; W57-L77 HydrophobicContact CH2-CG 4.32Å; W57-L77 HydrophobicContact CZ2-CD2 3.59Å; W57-L77 HydrophobicContact CZ2-CG 4.04Å; W57-I85 HydrophobicContact CD2-CD1 3.5Å; W57-I85 HydrophobicContact CD2-CG1 4.15Å; W57-I85 HydrophobicContact CE3-CD1 3.87Å; W57-I85 HydrophobicContact CE3-CG1 4.13Å; W57-I85 HydrophobicContact CE3-CG2 3.89Å; W57-I85 HydrophobicContact CG-CD1 3.91Å; W57-I85 HydrophobicContact CH2-CD1 4.33Å; W57-I85 HydrophobicContact CH2-CG2 4.16Å; W57-I85 HydrophobicContact CZ2-CD1 3.96Å; W57-I85 HydrophobicContact CZ3-CD1 4.28Å; W57-I85 HydrophobicContact CZ3-CG2 3.65Å; W57-L97 HydrophobicContact CH2-CD1 3.63Å; W57-L97 HydrophobicContact CZ3-CD1 3.69Å; W57-L97 HydrophobicContact CZ3-CD2 3.76Å; W57-L97 HydrophobicContact CZ3-CG 4.38Å
58L94.4Very high88.2Confident2 Ų253.8 Ų53.81%0.0126%0.259CS..Hα-helixtrans-63.7-41.1178.5-66.8169.7000112.4M27 I54 F55 N56 Y61 V62 I85 L92 M94 L97M27-L58 HydrophobicContact CE-CB 4.01Å; I54-L58 HydrophobicContact CG2-CD1 4.32Å; I54-L58 WeakPolarHBondContact O-CG 3.45Å; I54-L58 PolarHBondContact O-N 3.37Å; F55-L58 WeakPolarHBondContact O-CB 3.34Å; F55-L58 PolarHBondContact O-N 2.85Å; F55-L58 VanDerWaalsContact O-N 3.11Å; N56-L58 VanDerWaalsContact C-N 3.32Å; N56-L58 PolarHBondContact O-N 3.47Å; L58-Y61 WeakPolarHBondContact O-CB 3.37Å; L58-Y61 PolarHBondContact O-N 3.23Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.49Å; L58-I85 HydrophobicContact CD2-CG2 4.22Å; L58-L92 HydrophobicContact CD1-CD1 3.74Å; L58-M94 HydrophobicContact CD2-CE 4.5Å; L58-M94 HydrophobicContact CD2-SD 3.96Å; L58-L97 HydrophobicContact CD2-CD2 3.45Å; L58-L97 VanDerWaalsContact CD2-CD2 3.45Å
59I91.9Very high86.9Confident8 Ų853.8 Ų53.84%0.04126%0.259CS..Hα-helixtrans-65.4-42.8176.9-67.8-63.4000111.1I3 F16 C18 L23 F55 N56 W57 Y61 V62 K63I3-I59 HydrophobicContact CD1-CD1 4.32Å; F16-I59 HydrophobicContact CB-CG1 4.16Å; F16-I59 HydrophobicContact CD1-CB 4.32Å; F16-I59 HydrophobicContact CD1-CG1 4.06Å; F16-I59 HydrophobicContact CD1-CG2 4.39Å; F16-I59 HydrophobicContact CG-CG1 4.2Å; C18-I59 HydrophobicContact CB-CD1 4.48Å; L23-I59 HydrophobicContact CD1-CD1 4.47Å; F55-I59 HydrophobicContact CD1-CD1 4.34Å; F55-I59 HydrophobicContact CD1-CG1 3.69Å; F55-I59 HydrophobicContact CE1-CD1 3.64Å; F55-I59 HydrophobicContact CE1-CG1 3.5Å; F55-I59 VanDerWaalsContact CE1-CG1 3.5Å; F55-I59 HydrophobicContact CZ-CD1 4.12Å; F55-I59 HydrophobicContact CZ-CG1 4.36Å; F55-I59 WeakPolarHBondContact O-CG1 3.41Å; F55-I59 PolarHBondContact O-N 2.94Å; N56-I59 PolarHBondContact O-N 3.11Å; W57-I59 PolarHBondContact O-N 3.16Å; I59-Y61 VanDerWaalsContact C-N 3.28Å; I59-Y61 PolarHBondContact O-N 2.99Å; I59-V62 PolarHBondContact O-N 3.47Å; I59-K63 HydrophobicContact CG2-CD 4.25Å; I59-K63 WeakPolarHBondContact O-CB 3.44Å; I59-K63 WeakPolarHBondContact O-CG 3.48Å; I59-K63 PolarHBondContact O-N 2.9Å
60K91.4Very high85.3Confident103 Ų10356.3 Ų56.345%0.44827%0.269SS..Hα-helixtrans-59.6-41.6172.8-72.3179-179.9-175.60111.3N56 W57 K63 R64 P75N56-K60 WeakPolarHBondContact O-CG 3.41Å; N56-K60 PolarHBondContact O-N 3.4Å; W57-K60 PolarHBondContact O-N 2.87Å; K60-K63 PolarHBondContact O-N 2.98Å; K60-R64 PolarHBondContact O-N 2.86Å; K60-P75 HydrophobicContact CB-CB 4.26Å; K60-P75 HydrophobicContact CB-CG 3.77Å
61Y92.8Very high83.7Confident7 Ų762.5 Ų62.53%0.02730%0.3CS..Hα-helixtrans-63.2-47.4175.6178.9-92.7000111.5W57 L58 I59 K63 R64 M94 L97 Q100W57-Y61 AromaticContact CH2-CD2 3.85Å; W57-Y61 HydrophobicContact CH2-CD2 3.85Å; W57-Y61 HydrophobicContact CH2-CG 4.22Å; W57-Y61 HydrophobicContact CZ3-CD2 4Å; W57-Y61 AromaticContact CZ3-CG 3.88Å; W57-Y61 HydrophobicContact CZ3-CG 3.88Å; W57-Y61 WeakPolarHBondContact O-CB 3.44Å; W57-Y61 PolarHBondContact O-N 3.23Å; L58-Y61 WeakPolarHBondContact O-CB 3.37Å; L58-Y61 PolarHBondContact O-N 3.23Å; I59-Y61 VanDerWaalsContact C-N 3.28Å; I59-Y61 PolarHBondContact O-N 2.99Å; Y61-K63 VanDerWaalsContact C-N 3.27Å; Y61-K63 PolarHBondContact O-N 3.41Å; Y61-R64 WeakPolarHBondContact O-CB 3.36Å; Y61-R64 WeakPolarHBondContact O-CD 3.47Å; Y61-R64 WeakPolarHBondContact O-CG 3.26Å; Y61-R64 PolarHBondContact O-N 2.74Å; Y61-R64 VanDerWaalsContact O-N 3.08Å; Y61-R64 PolarHBondContact O-NH1 2.95Å; Y61-R64 PolarHBondContact OH-NH2 3.04Å; Y61-M94 HydrophobicContact CD1-CE 3.77Å; Y61-M94 HydrophobicContact CE1-CE 4.08Å; Y61-L97 HydrophobicContact CD1-CB 4.43Å; Y61-L97 HydrophobicContact CD1-CD1 4.47Å; Y61-L97 HydrophobicContact CD1-CD2 3.93Å; Y61-L97 HydrophobicContact CD2-CD1 4.13Å; Y61-L97 HydrophobicContact CE1-CB 3.73Å; Y61-L97 HydrophobicContact CE1-CD1 4.22Å; Y61-L97 HydrophobicContact CE1-CD2 4.08Å; Y61-L97 HydrophobicContact CE1-CG 4.23Å; Y61-L97 HydrophobicContact CE2-CD1 3.88Å; Y61-L97 HydrophobicContact CG-CD1 4.43Å; Y61-L97 HydrophobicContact CG-CD2 4.34Å; Y61-Q100 PolarHBondContact OH-NE2 2.96Å
62V91Very high82.1Confident1 Ų163.7 Ų63.71%0.00631%0.312CS..Hα-helixtrans-59.1-39.4176.9164.90000111.7L22 E26 M27 L58 I59 R64 M94L22-V62 HydrophobicContact CD1-CG1 4.35Å; L22-V62 HydrophobicContact CD2-CG1 3.85Å; L22-V62 HydrophobicContact CG-CG1 3.63Å; E26-V62 HydrophobicContact CB-CB 4.43Å; E26-V62 HydrophobicContact CB-CG1 4.06Å; E26-V62 HydrophobicContact CB-CG2 3.79Å; E26-V62 HydrophobicContact CG-CG1 4.11Å; E26-V62 HydrophobicContact CG-CG2 4.41Å; M27-V62 HydrophobicContact CE-CG2 3.73Å; M27-V62 HydrophobicContact CG-CG2 4.28Å; L58-V62 WeakPolarHBondContact O-CG2 3.38Å; L58-V62 PolarHBondContact O-N 3.49Å; I59-V62 PolarHBondContact O-N 3.47Å; V62-R64 VanDerWaalsContact C-N 3.26Å; V62-R64 PolarHBondContact O-N 3.29Å; V62-M94 HydrophobicContact CG2-CE 3.61Å
63K89.4Confident80.9Confident47 Ų4772 Ų7220%0.20435%0.35CS..G310 helixtrans-78.5-0.5178.2-67.7-174.1178.4-165.20114.5I17 L22 I59 K60 Y61 N65 T66 E68 S69I17-K63 VanDerWaalsContact O-CE 3.22Å; I17-K63 WeakPolarHBondContact O-CE 3.35Å; I17-K63 PolarHBondContact O-NZ 3.37Å; L22-K63 HydrophobicContact CD2-CG 4.08Å; I59-K63 HydrophobicContact CG2-CD 4.25Å; I59-K63 WeakPolarHBondContact O-CB 3.44Å; I59-K63 WeakPolarHBondContact O-CG 3.48Å; I59-K63 PolarHBondContact O-N 2.9Å; K60-K63 PolarHBondContact O-N 2.98Å; Y61-K63 VanDerWaalsContact C-N 3.27Å; Y61-K63 PolarHBondContact O-N 3.41Å; K63-N65 PolarHBondContact O-N 2.65Å; K63-T66 HydrophobicContact CB-CG2 4.45Å; K63-T66 PolarHBondContact O-N 2.98Å; K63-T66 PolarHBondContact O-OG1 2.96Å; K63-E68 IonicContact NZ-OE2 2.76Å; K63-S69 WeakPolarHBondContact O-CB 2.96Å
64R87.8Confident80.2Confident42 Ų4272.1 Ų72.116%0.15835%0.353CS..G310 helixtrans-52.3-33.9-174.670-165.8175.6-78.60.3114.6E26 K60 Y61 V62 S69 I74E26-R64 IonicContact OE1-NH2 2.82Å; E26-R64 IonicContact OE2-CZ 3.71Å; E26-R64 VanDerWaalsContact OE2-CZ 3.27Å; E26-R64 IonicContact OE2-NH1 3.56Å; E26-R64 PolarHBondContact OE2-NH1 2.87Å; E26-R64 IonicContact OE2-NH2 3.27Å; E26-R64 PolarHBondContact OE2-NH2 3Å; K60-R64 PolarHBondContact O-N 2.86Å; Y61-R64 WeakPolarHBondContact O-CB 3.36Å; Y61-R64 WeakPolarHBondContact O-CD 3.47Å; Y61-R64 WeakPolarHBondContact O-CG 3.26Å; Y61-R64 PolarHBondContact O-N 2.74Å; Y61-R64 VanDerWaalsContact O-N 3.08Å; Y61-R64 PolarHBondContact O-NH1 2.95Å; Y61-R64 PolarHBondContact OH-NH2 3.04Å; V62-R64 VanDerWaalsContact C-N 3.26Å; V62-R64 PolarHBondContact O-N 3.29Å; R64-S69 PolarHBondContact O-OG 3.18Å; R64-I74 HydrophobicContact CB-CG1 4.47Å
65N81.5Confident79.9Confident127 Ų12772.7 Ų72.768%0.67936%0.357SS*.G310 helixtrans-96.44.4-176.9-65.7-32.7000114.1K63K63-N65 PolarHBondContact O-N 2.65Å
66T82.9Confident79.8Confident34 Ų3475.8 Ų75.821%0.20938%0.384CS..SBendtrans-88.1160-178.371.80000111.6L22 K63 E68 S69L22-T66 HydrophobicContact CD1-CG2 4.42Å; L22-T66 HydrophobicContact CD2-CG2 3.58Å; K63-T66 HydrophobicContact CB-CG2 4.45Å; K63-T66 PolarHBondContact O-N 2.98Å; K63-T66 PolarHBondContact O-OG1 2.96Å; T66-E68 PolarHBondContact O-N 3.21Å; T66-S69 PolarHBondContact O-N 3.01Å; T66-S69 VanDerWaalsContact O-N 3.08Å; T66-S69 PolarHBondContact O-OG 3.44Å
67K68.8Low79.9Confident190 Ų19075.3 Ų75.383%0.82638%0.381SS*.G310 helixtrans-65-21.5176.9-66.1-179.7-178176.20112.9S69K67-S69 PolarHBondContact O-N 3.49Å
68E64.1Low79.9Confident136 Ų13679.8 Ų79.864%0.63640%0.403SS*.G310 helixtrans-69.2-18.3174.7-63.7178171.500112.3K63 T66 K70K63-E68 IonicContact NZ-OE2 2.76Å; T66-E68 PolarHBondContact O-N 3.21Å; E68-K70 VanDerWaalsContact C-N 3.35Å
69S58.7Low79.9Confident27 Ų2781.5 Ų81.519%0.18941%0.414CS..G310 helixtrans-84.5-2.7-179.176.10000114.5K63 R64 T66 K67 D71 C72K63-S69 WeakPolarHBondContact O-CB 2.96Å; R64-S69 PolarHBondContact O-OG 3.18Å; T66-S69 PolarHBondContact O-N 3.01Å; T66-S69 VanDerWaalsContact O-N 3.08Å; T66-S69 PolarHBondContact O-OG 3.44Å; K67-S69 PolarHBondContact O-N 3.49Å; S69-D71 PolarHBondContact O-N 3.4Å; S69-C72 PolarHBondContact O-N 3.35Å; S69-C72 VanDerWaalsContact O-O 3.09Å
70K55.1Low79.9Confident175 Ų17583.1 Ų83.176%0.76143%0.433SS*.G310 helixtrans-60.5-22.1-177.3-73.9-170.4174.8-1700114.2E68E68-K70 VanDerWaalsContact C-N 3.35Å
71D56.1Low79.9Confident162 Ų16278.9 Ų78.987%0.86642%0.415SS*.G310 helixtrans-112.4-0.5175.4-61-45.3000113.3S69S69-D71 PolarHBondContact O-N 3.4Å
72C58.4Low80Confident81 Ų8178.6 Ų78.655%0.54741%0.414SS..SBendtrans-105.9120.6179.3-80.70000110.8S69 I74S69-C72 PolarHBondContact O-N 3.35Å; S69-C72 VanDerWaalsContact O-O 3.09Å; C72-I74 PolarHBondContact O-N 3.43Å
73E67.8Low80.2Confident183 Ų18378.7 Ų78.786%0.85541%0.414SS*.PPolyproline II helixtrans-57.3131.9171.2-68.1-174.3159.700110.8
74I78.1Confident80.4Confident117 Ų11778.8 Ų78.860%0.642%0.421SS*.PPolyproline II helixtrans-59.3126.8173.1-62171.6000107.1R64 C72 A76R64-I74 HydrophobicContact CB-CG1 4.47Å; C72-I74 PolarHBondContact O-N 3.43Å; I74-A76 PolarHBondContact O-N 3.21Å
75P87.4Confident80.7Confident23 Ų2376.8 Ų76.815%0.14941%0.414CS..PPolyproline II helixtrans-66129.5-175.131.7-38.5000109.6W57 K60W57-P75 HydrophobicContact CD2-CB 4.05Å; W57-P75 HydrophobicContact CD2-CG 4.17Å; W57-P75 HydrophobicContact CG-CB 4.03Å; W57-P75 HydrophobicContact CZ2-CB 4.2Å; W57-P75 HydrophobicContact CZ2-CG 4.19Å; W57-P75 WeakPolarHBondContact CZ2-O 3.13Å; K60-P75 HydrophobicContact CB-CB 4.26Å; K60-P75 HydrophobicContact CB-CG 3.77Å
76A91.1Very high81.4Confident68 Ų6870.8 Ų70.856%0.56238%0.381SS*.PPolyproline II helixtrans-87146.2-178.600000111.5W57 I74W57-A76 PolarHBondContact NE1-O 3.49Å; I74-A76 PolarHBondContact O-N 3.21Å
77L95Very high81.9Confident30 Ų3071.6 Ų71.616%0.15738%0.384CS..PPolyproline II helixtrans-75.1134.6169-69.6173.9000109.4W57 V82 I85 Q100 Y104W57-L77 HydrophobicContact CH2-CD2 3.74Å; W57-L77 HydrophobicContact CH2-CG 4.32Å; W57-L77 HydrophobicContact CZ2-CD2 3.59Å; W57-L77 HydrophobicContact CZ2-CG 4.04Å; L77-V82 HydrophobicContact CD2-CG2 4.29Å; L77-I85 HydrophobicContact CD2-CB 4.49Å; L77-I85 HydrophobicContact CD2-CD1 3.79Å; L77-I85 HydrophobicContact CD2-CG2 4.15Å; L77-Q100 HydrophobicContact CD1-CB 4.48Å; L77-Y104 HydrophobicContact CB-CD1 4.45Å; L77-Y104 HydrophobicContact CB-CD2 3.75Å; L77-Y104 HydrophobicContact CB-CE2 3.87Å; L77-Y104 HydrophobicContact CB-CG 4.06Å; L77-Y104 HydrophobicContact CD1-CD2 4.15Å; L77-Y104 HydrophobicContact CD1-CG 4.08Å; L77-Y104 WeakPolarHBondContact O-CE2 3.5Å; L77-Y104 PolarHBondContact O-OH 3.35Å
78E94.6Very high83.1Confident113 Ų11364 Ų6453%0.52836%0.355SS..  trans-127.8154.5179.6-59.9-177.214900110.5G80 N81 V82E78-G80 PolarHBondContact O-N 2.94Å; E78-G80 VanDerWaalsContact O-N 3.08Å; E78-N81 PolarHBondContact N-OD1 2.87Å; E78-N81 PolarHBondContact O-N 3.06Å; E78-N81 VanDerWaalsContact O-N 3.13Å; E78-N81 PolarHBondContact O-OD1 2.86Å; E78-V82 WeakPolarHBondContact O-CB 3.31Å; E78-V82 PolarHBondContact O-N 2.76Å
79P93.4Very high84.5Confident37 Ų3757.5 Ų57.524%0.2432%0.324CS..THydrogen-bonded Turntrans-58.5-27.6-179.6-23.735.1000114.2Y104 A111 I112 A115P79-Y104 WeakPolarHBondContact CD-OH 3.49Å; P79-A111 HydrophobicContact CB-CB 3.95Å; P79-A111 HydrophobicContact CG-CB 3.75Å; P79-I112 HydrophobicContact CB-CG1 4.01Å; P79-A115 HydrophobicContact CB-CB 4.41Å
80G91.6Very high86.3Confident43 Ų4358.9 Ų58.944%0.44333%0.328SS..THydrogen-bonded Turntrans-79.7-26.2179.800000114.7E78E78-G80 PolarHBondContact O-N 2.94Å; E78-G80 VanDerWaalsContact O-N 3.08Å
81N92.9Very high88Confident14 Ų1456.5 Ų56.58%0.07532%0.318CS..THydrogen-bonded Turntrans-110.7-21.4-173.267.320.5000113.7I54 E78 I83 S84 I85I54-N81 HydrophobicContact CD1-CB 4.24Å; E78-N81 PolarHBondContact N-OD1 2.87Å; E78-N81 PolarHBondContact O-N 3.06Å; E78-N81 VanDerWaalsContact O-N 3.13Å; E78-N81 PolarHBondContact O-OD1 2.86Å; N81-I83 VanDerWaalsContact C-N 3.29Å; N81-I83 PolarHBondContact O-N 3.09Å; N81-S84 PolarHBondContact O-N 3.31Å; N81-S84 VanDerWaalsContact O-N 3.08Å; N81-I85 HydrophobicContact CB-CD1 3.95Å; N81-I85 HydrophobicContact CB-CG1 4.49Å; N81-I85 WeakPolarHBondContact O-CG1 3.43Å; N81-I85 PolarHBondContact O-N 3.07Å; N81-I85 WeakPolarHBondContact OD1-CD1 3.34Å
82V94.9Very high89.8Confident0 Ų049.1 Ų49.10%028%0.278CS..Hα-helixtrans-58.6-36-170.363.60000113.7L77 E78 I85 L86 C101 Y104 I112L77-V82 HydrophobicContact CD2-CG2 4.29Å; E78-V82 WeakPolarHBondContact O-CB 3.31Å; E78-V82 PolarHBondContact O-N 2.76Å; V82-I85 PolarHBondContact O-N 3.3Å; V82-L86 WeakPolarHBondContact O-CB 3.32Å; V82-L86 PolarHBondContact O-N 3.42Å; V82-C101 HydrophobicContact CG2-CB 4.09Å; V82-Y104 HydrophobicContact CB-CD1 4.02Å; V82-Y104 HydrophobicContact CB-CE1 4.29Å; V82-Y104 HydrophobicContact CG1-CD1 4.07Å; V82-Y104 HydrophobicContact CG1-CE1 4.18Å; V82-Y104 HydrophobicContact CG2-CD1 3.75Å; V82-Y104 HydrophobicContact CG2-CE1 4.5Å; V82-Y104 HydrophobicContact CG2-CG 4.31Å; V82-I112 HydrophobicContact CG1-CD1 3.73Å; V82-I112 HydrophobicContact CG1-CG1 3.84Å; V82-I112 HydrophobicContact CG1-CG2 4.37Å
83I94.3Very high91.5Very high3 Ų348.9 Ų48.92%0.01527%0.268CS..Hα-helixtrans-68.3-43.4178.8-59.5-51.2000111.2N81 L86 I87 I112 M119 I122N81-I83 VanDerWaalsContact C-N 3.29Å; N81-I83 PolarHBondContact O-N 3.09Å; I83-L86 PolarHBondContact O-N 2.95Å; I83-I87 HydrophobicContact CG2-CD1 3.97Å; I83-I87 WeakPolarHBondContact O-CD1 3.49Å; I83-I87 VanDerWaalsContact O-CG1 3.31Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 3.29Å; I83-I112 HydrophobicContact CD1-CG2 3.94Å; I83-I112 HydrophobicContact CG1-CG2 3.85Å; I83-M119 HydrophobicContact CG1-CG 4.29Å; I83-I122 HydrophobicContact CD1-CD1 3.95Å; I83-I122 HydrophobicContact CG2-CD1 3.86Å; I83-I122 HydrophobicContact CG2-CG1 3.92Å
84S93.3Very high92.8Very high50 Ų5040.4 Ų40.435%0.3523%0.228SC..Hα-helixtrans-66.1-41.1176.6-55.80000111.3N81 S88N81-S84 PolarHBondContact O-N 3.31Å; N81-S84 VanDerWaalsContact O-N 3.08Å; S84-S88 WeakPolarHBondContact O-CB 3.39Å; S84-S88 PolarHBondContact O-N 3.06Å; S84-S88 PolarHBondContact O-OG 3.23Å; S84-S88 VanDerWaalsContact O-OG 3.09Å
85I95.3Very high93.5Very high0 Ų039 Ų390%022%0.222CC..Hα-helixtrans-63.1-45175-65166.1000110.2I54 W57 L58 L77 N81 V82 I87 S88 S89 L97I54-I85 HydrophobicContact CD1-CG1 4.26Å; I54-I85 HydrophobicContact CG2-CG1 4.28Å; W57-I85 HydrophobicContact CD2-CD1 3.5Å; W57-I85 HydrophobicContact CD2-CG1 4.15Å; W57-I85 HydrophobicContact CE3-CD1 3.87Å; W57-I85 HydrophobicContact CE3-CG1 4.13Å; W57-I85 HydrophobicContact CE3-CG2 3.89Å; W57-I85 HydrophobicContact CG-CD1 3.91Å; W57-I85 HydrophobicContact CH2-CD1 4.33Å; W57-I85 HydrophobicContact CH2-CG2 4.16Å; W57-I85 HydrophobicContact CZ2-CD1 3.96Å; W57-I85 HydrophobicContact CZ3-CD1 4.28Å; W57-I85 HydrophobicContact CZ3-CG2 3.65Å; L58-I85 HydrophobicContact CD2-CG2 4.22Å; L77-I85 HydrophobicContact CD2-CB 4.49Å; L77-I85 HydrophobicContact CD2-CD1 3.79Å; L77-I85 HydrophobicContact CD2-CG2 4.15Å; N81-I85 HydrophobicContact CB-CD1 3.95Å; N81-I85 HydrophobicContact CB-CG1 4.49Å; N81-I85 WeakPolarHBondContact O-CG1 3.43Å; N81-I85 PolarHBondContact O-N 3.07Å; N81-I85 WeakPolarHBondContact OD1-CD1 3.34Å; V82-I85 PolarHBondContact O-N 3.3Å; I85-I87 PolarHBondContact O-N 3.44Å; I85-S88 PolarHBondContact O-N 2.94Å; I85-S89 WeakPolarHBondContact O-CB 3.37Å; I85-S89 PolarHBondContact O-N 3.25Å; I85-S89 PolarHBondContact O-OG 2.85Å; I85-L97 HydrophobicContact CG2-CD1 4.25Å; I85-L97 HydrophobicContact CG2-CD2 4.01Å; I85-L97 HydrophobicContact CG2-CG 4.29Å
86L95.5Very high93.9Very high0 Ų041.3 Ų41.30%024%0.239CC..Hα-helixtrans-57.1-51.1178.6177.461.2000111.1V82 I83 S88 S89 E90 V98 C101 I102 L126 I130V82-L86 WeakPolarHBondContact O-CB 3.32Å; V82-L86 PolarHBondContact O-N 3.42Å; I83-L86 PolarHBondContact O-N 2.95Å; L86-S88 PolarHBondContact O-N 3.09Å; L86-S89 WeakPolarHBondContact CA-OG 3.47Å; L86-S89 PolarHBondContact O-N 2.84Å; L86-S89 PolarHBondContact O-OG 2.85Å; L86-E90 WeakPolarHBondContact O-CB 3.46Å; L86-E90 PolarHBondContact O-N 3.03Å; L86-V98 HydrophobicContact CD1-CB 4.5Å; L86-V98 HydrophobicContact CD1-CG1 3.94Å; L86-C101 HydrophobicContact CB-CB 3.89Å; L86-C101 HydrophobicContact CD1-CB 3.66Å; L86-C101 HydrophobicContact CG-CB 4.28Å; L86-I102 HydrophobicContact CD1-CG1 3.97Å; L86-L126 HydrophobicContact CD1-CD1 4.47Å; L86-L126 HydrophobicContact CD1-CD2 4.09Å; L86-L126 HydrophobicContact CD2-CD1 4.4Å; L86-L126 HydrophobicContact CG-CD1 4.08Å; L86-I130 HydrophobicContact CD2-CD1 3.96Å
87I93.3Very high94.1Very high51 Ų5138.1 Ų38.126%0.26221%0.212SC..Hα-helixtrans-61.1-47.8-179.8-66.3162.6000110.9I83 I85 E90 F91 C121 I122I83-I87 HydrophobicContact CG2-CD1 3.97Å; I83-I87 WeakPolarHBondContact O-CD1 3.49Å; I83-I87 VanDerWaalsContact O-CG1 3.31Å; I83-I87 WeakPolarHBondContact O-CG1 3.45Å; I83-I87 PolarHBondContact O-N 3.29Å; I85-I87 PolarHBondContact O-N 3.44Å; I87-E90 PolarHBondContact O-N 3.5Å; I87-F91 PolarHBondContact O-N 3.34Å; I87-C121 HydrophobicContact CD1-CB 3.62Å; I87-I122 HydrophobicContact CD1-CG1 4.32Å; I87-I122 HydrophobicContact CG1-CG1 4.48Å
88S93.6Very high94.2Very high30 Ų3036.7 Ų36.721%0.2121%0.205CC..Hα-helixtrans-65.8-38.7179.3-62.30000112.4S84 I85 L86 F91 L92S84-S88 WeakPolarHBondContact O-CB 3.39Å; S84-S88 PolarHBondContact O-N 3.06Å; S84-S88 PolarHBondContact O-OG 3.23Å; S84-S88 VanDerWaalsContact O-OG 3.09Å; I85-S88 PolarHBondContact O-N 2.94Å; L86-S88 PolarHBondContact O-N 3.09Å; S88-F91 PolarHBondContact O-N 3.38Å; S88-L92 WeakPolarHBondContact O-CB 3.21Å; S88-L92 VanDerWaalsContact O-CG 3.3Å; S88-L92 WeakPolarHBondContact O-CG 3.37Å; S88-L92 PolarHBondContact O-N 2.81Å
89S95.2Very high94.3Very high0 Ų034.9 Ų34.90%020%0.196CC..Hα-helixtrans-68.6-36.3178.670.70000112.6I85 L86 K93 M94 V98I85-S89 WeakPolarHBondContact O-CB 3.37Å; I85-S89 PolarHBondContact O-N 3.25Å; I85-S89 PolarHBondContact O-OG 2.85Å; L86-S89 WeakPolarHBondContact CA-OG 3.47Å; L86-S89 PolarHBondContact O-N 2.84Å; L86-S89 PolarHBondContact O-OG 2.85Å; S89-K93 PolarHBondContact O-N 3.36Å; S89-K93 VanDerWaalsContact O-N 3.09Å; S89-M94 PolarHBondContact O-N 3.38Å; S89-V98 WeakPolarHBondContact OG-CG2 3.42Å
90E94.6Very high94.4Very high57 Ų5737.2 Ų37.227%0.26620%0.204SC..Hα-helixtrans-65.1-46.4172.8179.470.5-176.100110.5L86 I87 L92 K93 V98 L126L86-E90 WeakPolarHBondContact O-CB 3.46Å; L86-E90 PolarHBondContact O-N 3.03Å; I87-E90 PolarHBondContact O-N 3.5Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.77Å; E90-K93 PolarHBondContact O-N 3.46Å; E90-V98 HydrophobicContact CB-CG2 4.22Å; E90-V98 WeakPolarHBondContact OE2-CG1 3.34Å; E90-L126 HydrophobicContact CB-CD1 3.99Å; E90-L126 HydrophobicContact CB-CD2 4.47Å; E90-L126 HydrophobicContact CG-CD1 3.96Å; E90-L126 HydrophobicContact CG-CD2 4.25Å; E90-L126 HydrophobicContact CG-CG 4.23Å
91F92.6Very high94.7Very high124 Ų12435.1 Ų35.154%0.54418%0.183SC..Hα-helixtrans-59.9-43.9177.4-179-94.3000112.1Y29 I87 S88 K93Y29-F91 HydrophobicContact CD2-CE1 4.32Å; Y29-F91 HydrophobicContact CD2-CZ 4.47Å; Y29-F91 HydrophobicContact CE1-CE1 4.26Å; Y29-F91 AromaticContact CE2-CE1 3.92Å; Y29-F91 HydrophobicContact CE2-CE1 3.92Å; Y29-F91 HydrophobicContact CE2-CE2 4.44Å; Y29-F91 AromaticContact CE2-CZ 3.75Å; Y29-F91 HydrophobicContact CE2-CZ 3.75Å; Y29-F91 AromaticContact CZ-CE1 3.9Å; Y29-F91 AromaticContact CZ-CZ 3.87Å; I87-F91 PolarHBondContact O-N 3.34Å; S88-F91 PolarHBondContact O-N 3.38Å; F91-K93 PolarHBondContact O-N 3.41Å
92L92.9Very high94.9Very high8 Ų834.6 Ų34.64%0.04218%0.18CC..THydrogen-bonded Turntrans-78-0178.5-66.5170.4000113.6M27 K28 Y29 F30 L58 S88 E90 M94M27-L92 CarbonylContact C-O 3.56Å; M27-L92 HydrophobicContact CE-CD1 3.92Å; M27-L92 HydrophobicContact CG-CB 4.45Å; M27-L92 HydrophobicContact SD-CD1 4Å; M27-L92 HydrophobicContact SD-CD2 4.43Å; K28-L92 PolarHBondContact N-O 3Å; Y29-L92 WeakPolarHBondContact CB-O 3.16Å; Y29-L92 HydrophobicContact CD1-CD2 4.31Å; Y29-L92 PolarHBondContact N-O 3.43Å; F30-L92 HydrophobicContact CD2-CD2 4.32Å; F30-L92 HydrophobicContact CE2-CD2 3.63Å; F30-L92 HydrophobicContact CZ-CD2 4.06Å; L58-L92 HydrophobicContact CD1-CD1 3.74Å; S88-L92 WeakPolarHBondContact O-CB 3.21Å; S88-L92 VanDerWaalsContact O-CG 3.3Å; S88-L92 WeakPolarHBondContact O-CG 3.37Å; S88-L92 PolarHBondContact O-N 2.81Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.77Å; L92-M94 HydrophobicContact CB-CG 3.89Å; L92-M94 HydrophobicContact CB-SD 4.13Å; L92-M94 HydrophobicContact CD1-SD 4.29Å
93K94.1Very high95Very high76 Ų7637.6 Ų37.633%0.3319%0.194SC..THydrogen-bonded Turntrans56.948.7-179.7-60.6178.4171.6178.50112.8K28 E32 S89 E90 F91 D95K28-K93 HydrophobicContact CB-CB 3.78Å; K28-K93 HydrophobicContact CB-CD 4.46Å; E32-K93 IonicContact OE1-NZ 3.12Å; E32-K93 PolarHBondContact OE1-NZ 3.5Å; E32-K93 IonicContact OE2-NZ 3.67Å; E32-K93 PolarHBondContact OE2-NZ 3.5Å; S89-K93 PolarHBondContact O-N 3.36Å; S89-K93 VanDerWaalsContact O-N 3.09Å; E90-K93 PolarHBondContact O-N 3.46Å; F91-K93 PolarHBondContact O-N 3.41Å; K93-D95 PolarHBondContact O-N 2.8Å
94M94.8Very high95.2Very high5 Ų539.8 Ų39.83%0.02520%0.202CC..  trans-97.569.1179.6-57.1-179.971.400111.3E26 M27 L58 Y61 V62 S89 L92 S96 L97 V98E26-M94 WeakPolarHBondContact O-CG 3.26Å; M27-M94 HydrophobicContact CB-CG 4.49Å; M27-M94 HydrophobicContact CE-CE 4.16Å; M27-M94 HydrophobicContact CE-SD 3.87Å; M27-M94 HydrophobicContact CG-CE 4.18Å; M27-M94 HydrophobicContact CG-CG 3.93Å; M27-M94 HydrophobicContact CG-SD 3.86Å; L58-M94 HydrophobicContact CD2-CE 4.5Å; L58-M94 HydrophobicContact CD2-SD 3.96Å; Y61-M94 HydrophobicContact CD1-CE 3.77Å; Y61-M94 HydrophobicContact CE1-CE 4.08Å; V62-M94 HydrophobicContact CG2-CE 3.61Å; S89-M94 PolarHBondContact O-N 3.38Å; L92-M94 HydrophobicContact CB-CG 3.89Å; L92-M94 HydrophobicContact CB-SD 4.13Å; L92-M94 HydrophobicContact CD1-SD 4.29Å; M94-S96 VanDerWaalsContact C-N 3.31Å; M94-S96 PolarHBondContact O-N 3.42Å; M94-S96 VanDerWaalsContact O-N 3.1Å; M94-L97 HydrophobicContact CB-CB 4.13Å; M94-L97 HydrophobicContact CE-CD2 3.94Å; M94-L97 WeakPolarHBondContact O-CB 3.3Å; M94-L97 PolarHBondContact O-N 3.02Å; M94-L97 HydrophobicContact SD-CD2 4.11Å; M94-V98 WeakPolarHBondContact O-CG2 3.43Å; M94-V98 PolarHBondContact O-N 2.95Å
95D94.1Very high95.3Very high88 Ų8837.4 Ų37.447%0.47119%0.185SC..Hα-helixtrans-50.6-43-166.5-57.7-40.1000115K28 K93 L97 V98 E99K28-D95 IonicContact NZ-OD2 2.77Å; K28-D95 PolarHBondContact NZ-OD2 2.83Å; K93-D95 PolarHBondContact O-N 2.8Å; D95-L97 VanDerWaalsContact C-N 3.33Å; D95-L97 PolarHBondContact O-N 3.49Å; D95-V98 PolarHBondContact O-N 3.49Å; D95-E99 PolarHBondContact O-N 3.08Å
96S94.8Very high95.4Very high70 Ų7039.5 Ų39.549%0.4920%0.195SC..Hα-helixtrans-65.4-36.6-179.7177.10000112.6M94 Q100M94-S96 VanDerWaalsContact C-N 3.31Å; M94-S96 PolarHBondContact O-N 3.42Å; M94-S96 VanDerWaalsContact O-N 3.1Å; S96-Q100 WeakPolarHBondContact O-CG 3.36Å; S96-Q100 PolarHBondContact O-N 3.15Å; S96-Q100 PolarHBondContact O-NE2 3.34Å; S96-Q100 VanDerWaalsContact O-NE2 3.14Å; S96-Q100 PolarHBondContact OG-NE2 3.08Å
97L95.9Very high95.5Very high1 Ų147 Ų471%0.00523%0.228CC..Hα-helixtrans-74.4-40.8177178.457.8000110.9W57 L58 Y61 I85 M94 D95 E99 Q100 C101W57-L97 HydrophobicContact CH2-CD1 3.63Å; W57-L97 HydrophobicContact CZ3-CD1 3.69Å; W57-L97 HydrophobicContact CZ3-CD2 3.76Å; W57-L97 HydrophobicContact CZ3-CG 4.38Å; L58-L97 HydrophobicContact CD2-CD2 3.45Å; L58-L97 VanDerWaalsContact CD2-CD2 3.45Å; Y61-L97 HydrophobicContact CD1-CB 4.43Å; Y61-L97 HydrophobicContact CD1-CD1 4.47Å; Y61-L97 HydrophobicContact CD1-CD2 3.93Å; Y61-L97 HydrophobicContact CD2-CD1 4.13Å; Y61-L97 HydrophobicContact CE1-CB 3.73Å; Y61-L97 HydrophobicContact CE1-CD1 4.22Å; Y61-L97 HydrophobicContact CE1-CD2 4.08Å; Y61-L97 HydrophobicContact CE1-CG 4.23Å; Y61-L97 HydrophobicContact CE2-CD1 3.88Å; Y61-L97 HydrophobicContact CG-CD1 4.43Å; Y61-L97 HydrophobicContact CG-CD2 4.34Å; I85-L97 HydrophobicContact CG2-CD1 4.25Å; I85-L97 HydrophobicContact CG2-CD2 4.01Å; I85-L97 HydrophobicContact CG2-CG 4.29Å; M94-L97 HydrophobicContact CB-CB 4.13Å; M94-L97 HydrophobicContact CE-CD2 3.94Å; M94-L97 WeakPolarHBondContact O-CB 3.3Å; M94-L97 PolarHBondContact O-N 3.02Å; M94-L97 HydrophobicContact SD-CD2 4.11Å; D95-L97 VanDerWaalsContact C-N 3.33Å; D95-L97 PolarHBondContact O-N 3.49Å; L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 3.09Å; L97-Q100 PolarHBondContact O-N 3.07Å; L97-Q100 VanDerWaalsContact O-N 3.16Å; L97-C101 PolarHBondContact O-N 3Å; L97-C101 PolarHBondContact O-SG 3.14Å; L97-C101 VanDerWaalsContact O-SG 3.37Å
98V96.6Very high95.6Very high1 Ų147.3 Ų47.31%0.00623%0.23CC..Hα-helixtrans-54.7-47.1175.1173.30000110.3L86 S89 E90 M94 D95 C101 I102 L126 R129L86-V98 HydrophobicContact CD1-CB 4.5Å; L86-V98 HydrophobicContact CD1-CG1 3.94Å; S89-V98 WeakPolarHBondContact OG-CG2 3.42Å; E90-V98 HydrophobicContact CB-CG2 4.22Å; E90-V98 WeakPolarHBondContact OE2-CG1 3.34Å; M94-V98 WeakPolarHBondContact O-CG2 3.43Å; M94-V98 PolarHBondContact O-N 2.95Å; D95-V98 PolarHBondContact O-N 3.49Å; V98-C101 PolarHBondContact O-N 2.91Å; V98-I102 HydrophobicContact CG1-CD1 3.82Å; V98-I102 WeakPolarHBondContact O-CG1 3.31Å; V98-I102 PolarHBondContact O-N 3.17Å; V98-L126 HydrophobicContact CG1-CD2 3.97Å; V98-R129 VanDerWaalsContact CG1-NH1 3.29Å
99E96.9Very high95.7Very high74 Ų7446.1 Ų46.135%0.34622%0.221SC..Hα-helixtrans-64.2-43.5178.4-170.955.1-144.500112D95 L97 C101 I102 Q103 R129D95-E99 PolarHBondContact O-N 3.08Å; L97-E99 VanDerWaalsContact C-N 3.27Å; L97-E99 PolarHBondContact O-N 3.09Å; E99-C101 VanDerWaalsContact C-N 3.32Å; E99-C101 PolarHBondContact O-N 2.85Å; E99-I102 PolarHBondContact O-N 2.81Å; E99-Q103 VanDerWaalsContact O-CG 3.29Å; E99-Q103 WeakPolarHBondContact O-CG 3.37Å; E99-Q103 PolarHBondContact O-N 2.87Å; E99-Q103 PolarHBondContact OE1-NE2 2.66Å; E99-R129 IonicContact OE2-CZ 3.69Å; E99-R129 IonicContact OE2-NH2 2.74Å; E99-R129 PolarHBondContact OE2-NH2 3.43Å
100Q96.4Very high95.7Very high86 Ų8649.4 Ų49.440%0.40224%0.239SC..Hα-helixtrans-59.1-42.2174.9-75.7171.763.900112.4Y61 L77 S96 L97 Q103 Y104Y61-Q100 PolarHBondContact OH-NE2 2.96Å; L77-Q100 HydrophobicContact CD1-CB 4.48Å; S96-Q100 WeakPolarHBondContact O-CG 3.36Å; S96-Q100 PolarHBondContact O-N 3.15Å; S96-Q100 PolarHBondContact O-NE2 3.34Å; S96-Q100 VanDerWaalsContact O-NE2 3.14Å; S96-Q100 PolarHBondContact OG-NE2 3.08Å; L97-Q100 PolarHBondContact O-N 3.07Å; L97-Q100 VanDerWaalsContact O-N 3.16Å; Q100-Q103 PolarHBondContact O-N 3.09Å; Q100-Y104 WeakPolarHBondContact O-CB 3.38Å; Q100-Y104 PolarHBondContact O-N 3.12Å
101C97.2Very high95.7Very high0 Ų048.8 Ų48.80%024%0.244CC..Hα-helixtrans-65.1-42.1176.4-71.20000112V82 L86 L97 V98 E99 Y104 C105V82-C101 HydrophobicContact CG2-CB 4.09Å; L86-C101 HydrophobicContact CB-CB 3.89Å; L86-C101 HydrophobicContact CD1-CB 3.66Å; L86-C101 HydrophobicContact CG-CB 4.28Å; L97-C101 PolarHBondContact O-N 3Å; L97-C101 PolarHBondContact O-SG 3.14Å; L97-C101 VanDerWaalsContact O-SG 3.37Å; V98-C101 PolarHBondContact O-N 2.91Å; E99-C101 VanDerWaalsContact C-N 3.32Å; E99-C101 PolarHBondContact O-N 2.85Å; C101-Y104 PolarHBondContact O-N 3.46Å; C101-C105 WeakPolarHBondContact O-CB 3.28Å; C101-C105 PolarHBondContact O-N 3.13Å; C101-C105 PolarHBondContact O-SG 3.4Å
102I97.1Very high95.8Very high2 Ų242.9 Ų42.91%0.0122%0.218CC..Hα-helixtrans-62.4-45.5177-73.6168.3000111.1L86 V98 E99 Y104 C105 H106 L126 R129 I130 L133L86-I102 HydrophobicContact CD1-CG1 3.97Å; V98-I102 HydrophobicContact CG1-CD1 3.82Å; V98-I102 WeakPolarHBondContact O-CG1 3.31Å; V98-I102 PolarHBondContact O-N 3.17Å; E99-I102 PolarHBondContact O-N 2.81Å; I102-Y104 VanDerWaalsContact C-N 3.33Å; I102-Y104 PolarHBondContact O-N 2.83Å; I102-C105 WeakPolarHBondContact O-CB 3.39Å; I102-C105 PolarHBondContact O-N 2.85Å; I102-H106 PolarHBondContact O-N 3.04Å; I102-L126 HydrophobicContact CD1-CD2 4.16Å; I102-R129 HydrophobicContact CD1-CB 3.99Å; I102-I130 HydrophobicContact CB-CG1 4.46Å; I102-I130 HydrophobicContact CG1-CG1 4.05Å; I102-I130 HydrophobicContact CG2-CG1 4.13Å; I102-L133 HydrophobicContact CG2-CD1 3.52Å; I102-L133 HydrophobicContact CG2-CG 4.42Å
103Q97.8Very high95.8Very high64 Ų6442.8 Ų42.830%0.29922%0.217SC..Hα-helixtrans-63.9-39.1175.8-66.5-61.8-33.200112E99 Q100 C105 H106 K107E99-Q103 VanDerWaalsContact O-CG 3.29Å; E99-Q103 WeakPolarHBondContact O-CG 3.37Å; E99-Q103 PolarHBondContact O-N 2.87Å; E99-Q103 PolarHBondContact OE1-NE2 2.66Å; Q100-Q103 PolarHBondContact O-N 3.09Å; Q103-C105 VanDerWaalsContact C-N 3.34Å; Q103-H106 PolarHBondContact O-N 3.24Å; Q103-K107 WeakPolarHBondContact O-CG 3.29Å; Q103-K107 PolarHBondContact O-N 3.16Å; Q103-K107 VanDerWaalsContact O-N 3.16Å
104Y97.4Very high95.7Very high48 Ų4843 Ų4319%0.18823%0.234CC..Hα-helixtrans-64.2-40.8175-172.2-82.1000111.6L77 P79 V82 Q100 C101 I102 K107 N108 I112L77-Y104 HydrophobicContact CB-CD1 4.45Å; L77-Y104 HydrophobicContact CB-CD2 3.75Å; L77-Y104 HydrophobicContact CB-CE2 3.87Å; L77-Y104 HydrophobicContact CB-CG 4.06Å; L77-Y104 HydrophobicContact CD1-CD2 4.15Å; L77-Y104 HydrophobicContact CD1-CG 4.08Å; L77-Y104 WeakPolarHBondContact O-CE2 3.5Å; L77-Y104 PolarHBondContact O-OH 3.35Å; P79-Y104 WeakPolarHBondContact CD-OH 3.49Å; V82-Y104 HydrophobicContact CB-CD1 4.02Å; V82-Y104 HydrophobicContact CB-CE1 4.29Å; V82-Y104 HydrophobicContact CG1-CD1 4.07Å; V82-Y104 HydrophobicContact CG1-CE1 4.18Å; V82-Y104 HydrophobicContact CG2-CD1 3.75Å; V82-Y104 HydrophobicContact CG2-CE1 4.5Å; V82-Y104 HydrophobicContact CG2-CG 4.31Å; Q100-Y104 WeakPolarHBondContact O-CB 3.38Å; Q100-Y104 PolarHBondContact O-N 3.12Å; C101-Y104 PolarHBondContact O-N 3.46Å; I102-Y104 VanDerWaalsContact C-N 3.33Å; I102-Y104 PolarHBondContact O-N 2.83Å; Y104-K107 PolarHBondContact O-N 3.03Å; Y104-N108 HydrophobicContact CD1-CB 4.18Å; Y104-N108 HydrophobicContact CE1-CB 3.78Å; Y104-N108 WeakPolarHBondContact CE2-ND2 3.46Å; Y104-N108 WeakPolarHBondContact O-CB 3.47Å; Y104-N108 PolarHBondContact O-N 3.22Å; Y104-N108 PolarHBondContact O-ND2 2.66Å; Y104-I112 HydrophobicContact CD1-CD1 4.12Å; Y104-I112 HydrophobicContact CE1-CD1 4.23Å
105C96.2Very high95.4Very high0 Ų043.5 Ų43.50%024%0.238CC..Hα-helixtrans-57.8-47.5174.9-75.40000111.5C101 I102 Q103 K107 N108 M109 I112 I130C101-C105 WeakPolarHBondContact O-CB 3.28Å; C101-C105 PolarHBondContact O-N 3.13Å; C101-C105 PolarHBondContact O-SG 3.4Å; I102-C105 WeakPolarHBondContact O-CB 3.39Å; I102-C105 PolarHBondContact O-N 2.85Å; Q103-C105 VanDerWaalsContact C-N 3.34Å; C105-K107 PolarHBondContact O-N 2.92Å; C105-N108 PolarHBondContact O-N 2.77Å; C105-M109 HydrophobicContact CB-CE 4.14Å; C105-M109 WeakPolarHBondContact O-CA 3.4Å; C105-M109 WeakPolarHBondContact O-CB 3.29Å; C105-M109 PolarHBondContact O-N 3.4Å; C105-I112 HydrophobicContact CB-CD1 4.35Å; C105-I130 HydrophobicContact CB-CD1 4.42Å; C105-I130 HydrophobicContact CB-CG2 4.46Å
106H96.6Very high94.8Very high45 Ų4545.8 Ų45.821%0.20826%0.258CS..Hα-helixtrans-57.9-50.6177.3179.7-113.5000112I102 Q103 N108 L133 F134 E138I102-H106 PolarHBondContact O-N 3.04Å; Q103-H106 PolarHBondContact O-N 3.24Å; H106-N108 PolarHBondContact O-N 3.34Å; H106-L133 HydrophobicContact CB-CB 4.12Å; H106-L133 HydrophobicContact CB-CD1 3.81Å; H106-L133 PolarHBondContact NE2-O 2.77Å; H106-F134 HydrophobicContact CB-CE2 4.24Å; H106-F134 HydrophobicContact CB-CZ 4.33Å; H106-F134 AromaticContact CD2-CD1 3.74Å; H106-F134 AromaticContact CD2-CD2 3.73Å; H106-F134 AromaticContact CD2-CE1 3.67Å; H106-F134 AromaticContact CD2-CE2 3.66Å; H106-F134 AromaticContact CD2-CG 3.75Å; H106-F134 AromaticContact CD2-CZ 3.62Å; H106-E138 IonicContact CE1-OE1 3.69Å; H106-E138 IonicContact NE2-OE1 2.77Å; H106-E138 IonicContact NE2-OE2 3.65Å; H106-E138 PolarHBondContact NE2-OE2 2.68Å
107K97.1Very high94Very high157 Ų15743.5 Ų43.568%0.68324%0.241SC*.Hα-helixtrans-68.2-32.1-177-67.8176-176.7177.90114.5Q103 Y104 C105Q103-K107 WeakPolarHBondContact O-CG 3.29Å; Q103-K107 PolarHBondContact O-N 3.16Å; Q103-K107 VanDerWaalsContact O-N 3.16Å; Y104-K107 PolarHBondContact O-N 3.03Å; C105-K107 PolarHBondContact O-N 2.92Å
108N96.4Very high92.9Very high58 Ų5848.4 Ų48.431%0.3127%0.268SS..Hα-helixtrans-120.218-168.9-61.3-76.1000113.8Y104 C105 H106 N110 A111 I112Y104-N108 HydrophobicContact CD1-CB 4.18Å; Y104-N108 HydrophobicContact CE1-CB 3.78Å; Y104-N108 WeakPolarHBondContact CE2-ND2 3.46Å; Y104-N108 WeakPolarHBondContact O-CB 3.47Å; Y104-N108 PolarHBondContact O-N 3.22Å; Y104-N108 PolarHBondContact O-ND2 2.66Å; C105-N108 PolarHBondContact O-N 2.77Å; H106-N108 PolarHBondContact O-N 3.34Å; N108-N110 VanDerWaalsContact C-N 3.27Å; N108-N110 PolarHBondContact O-N 2.67Å; N108-N110 VanDerWaalsContact O-N 3.15Å; N108-A111 WeakPolarHBondContact O-CB 2.89Å; N108-A111 PolarHBondContact O-N 3.33Å; N108-I112 HydrophobicContact CB-CD1 4.17Å; N108-I112 HydrophobicContact CB-CG1 4.49Å; N108-I112 WeakPolarHBondContact O-CG1 3.29Å; N108-I112 PolarHBondContact O-N 3.32Å; N108-I112 VanDerWaalsContact O-N 3.07Å
109M95.1Very high91.8Very high5 Ų548.7 Ų48.73%0.02527%0.269CS..Hα-helixtrans-52.6-42.5-172.5-171.656.770.200113.6C105 A111 I112 V113 I130 F134 L142 F149C105-M109 HydrophobicContact CB-CE 4.14Å; C105-M109 WeakPolarHBondContact O-CA 3.4Å; C105-M109 WeakPolarHBondContact O-CB 3.29Å; C105-M109 PolarHBondContact O-N 3.4Å; M109-A111 VanDerWaalsContact C-N 3.31Å; M109-A111 PolarHBondContact O-N 3.07Å; M109-I112 PolarHBondContact O-N 3.15Å; M109-I112 VanDerWaalsContact O-N 3.09Å; M109-V113 HydrophobicContact CG-CG1 4.28Å; M109-V113 WeakPolarHBondContact O-CG2 3.43Å; M109-V113 PolarHBondContact O-N 3.45Å; M109-V113 HydrophobicContact SD-CG1 3.98Å; M109-I130 HydrophobicContact CE-CG2 4.01Å; M109-F134 HydrophobicContact CB-CE1 4.33Å; M109-F134 HydrophobicContact CB-CZ 3.8Å; M109-F134 HydrophobicContact CE-CE2 3.85Å; M109-F134 HydrophobicContact CE-CZ 3.86Å; M109-F134 HydrophobicContact CG-CZ 4.06Å; M109-L142 HydrophobicContact CB-CD2 3.83Å; M109-L142 HydrophobicContact CG-CD1 3.91Å; M109-L142 HydrophobicContact CG-CD2 3.71Å; M109-L142 HydrophobicContact CG-CG 4.47Å; M109-F149 HydrophobicContact CE-CD1 3.42Å; M109-F149 VanDerWaalsContact CE-CD1 3.42Å; M109-F149 HydrophobicContact CE-CE1 3.29Å; M109-F149 HydrophobicContact CE-CG 4.49Å; M109-F149 HydrophobicContact CE-CZ 4.3Å; M109-F149 HydrophobicContact SD-CB 4.43Å; M109-F149 HydrophobicContact SD-CD1 3.49Å; M109-F149 WeakPolarHBondContact SD-CD1 3.27Å; M109-F149 HydrophobicContact SD-CE1 4Å; M109-F149 HydrophobicContact SD-CG 4.14Å
110N95.1Very high90.7Very high69 Ų6951.1 Ų51.137%0.36928%0.284SS..Hα-helixtrans-58.5-39.8178.1-79.8-44.3000113.1N108 V113 A114 K143N108-N110 VanDerWaalsContact C-N 3.27Å; N108-N110 PolarHBondContact O-N 2.67Å; N108-N110 VanDerWaalsContact O-N 3.15Å; N110-V113 WeakPolarHBondContact O-CG2 3.44Å; N110-A114 WeakPolarHBondContact O-CB 3.25Å; N110-A114 PolarHBondContact O-N 3.2Å; N110-K143 PolarHBondContact OD1-N 3.25Å
111A95.1Very high89.8Confident44 Ų4450.9 Ų50.936%0.36429%0.291SS..Hα-helixtrans-72.2-36.5176.200000111.2P79 N108 M109 A114 A115P79-A111 HydrophobicContact CB-CB 3.95Å; P79-A111 HydrophobicContact CG-CB 3.75Å; N108-A111 WeakPolarHBondContact O-CB 2.89Å; N108-A111 PolarHBondContact O-N 3.33Å; M109-A111 VanDerWaalsContact C-N 3.31Å; M109-A111 PolarHBondContact O-N 3.07Å; A111-A114 PolarHBondContact O-N 3.07Å; A111-A115 PolarHBondContact O-N 2.85Å
112I94Very high89.3Confident0 Ų051.8 Ų51.80%030%0.296CS..Hα-helixtrans-66.7-46.7-179.5-63.9162.5000110.5P79 V82 I83 Y104 C105 N108 M109 A114 A115 C117 M119P79-I112 HydrophobicContact CB-CG1 4.01Å; V82-I112 HydrophobicContact CG1-CD1 3.73Å; V82-I112 HydrophobicContact CG1-CG1 3.84Å; V82-I112 HydrophobicContact CG1-CG2 4.37Å; I83-I112 HydrophobicContact CD1-CG2 3.94Å; I83-I112 HydrophobicContact CG1-CG2 3.85Å; Y104-I112 HydrophobicContact CD1-CD1 4.12Å; Y104-I112 HydrophobicContact CE1-CD1 4.23Å; C105-I112 HydrophobicContact CB-CD1 4.35Å; N108-I112 HydrophobicContact CB-CD1 4.17Å; N108-I112 HydrophobicContact CB-CG1 4.49Å; N108-I112 WeakPolarHBondContact O-CG1 3.29Å; N108-I112 PolarHBondContact O-N 3.32Å; N108-I112 VanDerWaalsContact O-N 3.07Å; M109-I112 PolarHBondContact O-N 3.15Å; M109-I112 VanDerWaalsContact O-N 3.09Å; I112-A114 VanDerWaalsContact C-N 3.26Å; I112-A114 PolarHBondContact O-N 2.88Å; I112-A115 WeakPolarHBondContact O-CB 3.08Å; I112-A115 PolarHBondContact O-N 3.39Å; I112-A115 VanDerWaalsContact O-N 3.13Å; I112-C117 PolarHBondContact O-SG 3.4Å; I112-M119 HydrophobicContact CB-CE 4.23Å; I112-M119 HydrophobicContact CG2-CE 3.24Å; I112-M119 HydrophobicContact CG2-SD 4.49Å; I112-M119 WeakPolarHBondContact O-CE 3.29Å
113V92.7Very high88.9Confident6 Ų654.8 Ų54.84%0.03631%0.312CS..Hα-helixtrans-67.8-26.3176.9-59.40000112.8M109 N110 M119 D144 K148 F149M109-V113 HydrophobicContact CG-CG1 4.28Å; M109-V113 WeakPolarHBondContact O-CG2 3.43Å; M109-V113 PolarHBondContact O-N 3.45Å; M109-V113 HydrophobicContact SD-CG1 3.98Å; N110-V113 WeakPolarHBondContact O-CG2 3.44Å; V113-M119 HydrophobicContact CB-CE 4.44Å; V113-M119 HydrophobicContact CG1-CE 4.11Å; V113-M119 HydrophobicContact CG1-SD 4.37Å; V113-D144 HydrophobicContact CB-CB 4.33Å; V113-D144 HydrophobicContact CG1-CB 4.36Å; V113-D144 HydrophobicContact CG2-CB 4.11Å; V113-K148 WeakPolarHBondContact O-CD 3.25Å; V113-K148 WeakPolarHBondContact O-CE 3.46Å; V113-K148 PolarHBondContact O-NZ 2.92Å; V113-F149 HydrophobicContact CG1-CB 4.02Å
114A92Very high88.6Confident81 Ų8154.3 Ų54.367%0.66932%0.319SS*.Hα-helixtrans-72.9-31.4172.300000112.6N110 A111 I112N110-A114 WeakPolarHBondContact O-CB 3.25Å; N110-A114 PolarHBondContact O-N 3.2Å; A111-A114 PolarHBondContact O-N 3.07Å; I112-A114 VanDerWaalsContact C-N 3.26Å; I112-A114 PolarHBondContact O-N 2.88Å
115A89.8Confident88.4Confident14 Ų1457.6 Ų57.612%0.11634%0.34CS..SBendtrans-67.4151.5-179.200000112.9P79 A111 I112 C117 K148P79-A115 HydrophobicContact CB-CB 4.41Å; A111-A115 PolarHBondContact O-N 2.85Å; I112-A115 WeakPolarHBondContact O-CB 3.08Å; I112-A115 PolarHBondContact O-N 3.39Å; I112-A115 VanDerWaalsContact O-N 3.13Å; A115-C117 PolarHBondContact O-N 3.27Å; A115-K148 PolarHBondContact O-NZ 2.93Å
116P81.1Confident88.3Confident136 Ų13657.7 Ų57.788%0.88334%0.34SS*.SBendtrans-78.572173.733.6-34.7000110.6
117C76.8Confident88.2Confident22 Ų2256.5 Ų56.515%0.14934%0.336CS..  trans-120.4149.5175.558.50000111.5I112 A115 M119I112-C117 PolarHBondContact O-SG 3.4Å; A115-C117 PolarHBondContact O-N 3.27Å; C117-M119 WeakPolarHBondContact SG-CE 3.33Å
118N74.1Confident88Confident104 Ų10450.2 Ų50.256%0.55631%0.31SS*.  trans-89.5108.6174.5-173.7-10.4000109.6N120N118-N120 WeakPolarHBondContact OD1-CB 3.3Å; N118-N120 PolarHBondContact OD1-N 3.4Å; N118-N120 VanDerWaalsContact OD1-N 3.08Å
119M72.5Confident88Confident7 Ų751.8 Ų51.83%0.03431%0.312CS..  trans-998.2-177.5-56.9-174.1-177.400113.8I83 I112 V113 C117 C121 I122 K148 F149 K152I83-M119 HydrophobicContact CG1-CG 4.29Å; I112-M119 HydrophobicContact CB-CE 4.23Å; I112-M119 HydrophobicContact CG2-CE 3.24Å; I112-M119 HydrophobicContact CG2-SD 4.49Å; I112-M119 WeakPolarHBondContact O-CE 3.29Å; V113-M119 HydrophobicContact CB-CE 4.44Å; V113-M119 HydrophobicContact CG1-CE 4.11Å; V113-M119 HydrophobicContact CG1-SD 4.37Å; C117-M119 WeakPolarHBondContact SG-CE 3.33Å; M119-C121 VanDerWaalsContact C-N 3.28Å; M119-I122 HydrophobicContact CB-CD1 4.5Å; M119-K148 HydrophobicContact CE-CD 4.5Å; M119-K148 HydrophobicContact SD-CB 3.98Å; M119-F149 HydrophobicContact SD-CB 4.21Å; M119-F149 HydrophobicContact SD-CD2 4.21Å; M119-F149 HydrophobicContact SD-CG 4.43Å; M119-K152 PolarHBondContact O-NZ 3.06Å
120N74.3Confident88Confident125 Ų12551.5 Ų51.567%0.66831%0.311SS*.THydrogen-bonded Turntrans-80.4-13.3-178.2-68.4-26000113.1N118 K152N118-N120 WeakPolarHBondContact OD1-CB 3.3Å; N118-N120 PolarHBondContact OD1-N 3.4Å; N118-N120 VanDerWaalsContact OD1-N 3.08Å; N120-K152 PolarHBondContact OD1-NZ 2.99Å
121C77.7Confident87.9Confident81 Ų8148.3 Ų48.355%0.54729%0.293SS..THydrogen-bonded Turntrans-88.4-1.1-177.2-58.70000113.8I87 M119 N123I87-C121 HydrophobicContact CD1-CB 3.62Å; M119-C121 VanDerWaalsContact C-N 3.28Å; C121-N123 PolarHBondContact O-N 3.15Å
122I86.9Confident87.8Confident19 Ų1948.5 Ų48.510%0.09729%0.289CS..  trans-73.1122.4177.6-57.3175000108.6I83 I87 M119 L126 L127 F149I83-I122 HydrophobicContact CD1-CD1 3.95Å; I83-I122 HydrophobicContact CG2-CD1 3.86Å; I83-I122 HydrophobicContact CG2-CG1 3.92Å; I87-I122 HydrophobicContact CD1-CG1 4.32Å; I87-I122 HydrophobicContact CG1-CG1 4.48Å; M119-I122 HydrophobicContact CB-CD1 4.5Å; I122-L126 HydrophobicContact CG2-CB 3.64Å; I122-L126 HydrophobicContact CG2-CD1 4.39Å; I122-L127 HydrophobicContact CG2-CB 4.31Å; I122-F149 HydrophobicContact CD1-CE2 3.78Å; I122-F149 HydrophobicContact CD1-CZ 4.39Å
123N88.7Confident87.8Confident66 Ų6651.1 Ų51.135%0.35330%0.302SS..  trans-68.8163.4-18074.636.6000112C121 N125 L126 L127C121-N123 PolarHBondContact O-N 3.15Å; N123-N125 VanDerWaalsContact C-N 3.26Å; N123-N125 PolarHBondContact O-N 3.16Å; N123-N125 PolarHBondContact OD1-N 3.05Å; N123-L126 PolarHBondContact O-N 3.25Å; N123-L126 WeakPolarHBondContact OD1-CB 3.42Å; N123-L126 WeakPolarHBondContact OD1-CG 3.46Å; N123-L126 PolarHBondContact OD1-N 3.06Å; N123-L127 WeakPolarHBondContact O-CB 3.31Å; N123-L127 PolarHBondContact O-N 2.99Å
124A90.7Very high87.9Confident54 Ų5451.1 Ų51.145%0.44630%0.302SS..Hα-helixtrans-60.8-32.5-176.600000113.6T128A124-T128 WeakPolarHBondContact O-CB 3.49Å; A124-T128 PolarHBondContact O-N 3.44Å; A124-T128 PolarHBondContact O-OG1 3.45Å
125N92.7Very high88Confident116 Ų11649.3 Ų49.362%0.6228%0.282SS*.Hα-helixtrans-70.7-48.3-179-67.4-10.3000111.2N123 L127 T128 R129N123-N125 VanDerWaalsContact C-N 3.26Å; N123-N125 PolarHBondContact O-N 3.16Å; N123-N125 PolarHBondContact OD1-N 3.05Å; N125-L127 VanDerWaalsContact C-N 3.35Å; N125-T128 PolarHBondContact O-N 3.33Å; N125-R129 WeakPolarHBondContact O-CG 3.31Å; N125-R129 PolarHBondContact O-N 3.08Å
126L94.5Very high88Confident2 Ų252.3 Ų52.31%0.0129%0.294CS..Hα-helixtrans-61.4-43.8175-71.6178.3000111.3L86 E90 V98 I102 I122 N123 T128 R129 I130L86-L126 HydrophobicContact CD1-CD1 4.47Å; L86-L126 HydrophobicContact CD1-CD2 4.09Å; L86-L126 HydrophobicContact CD2-CD1 4.4Å; L86-L126 HydrophobicContact CG-CD1 4.08Å; E90-L126 HydrophobicContact CB-CD1 3.99Å; E90-L126 HydrophobicContact CB-CD2 4.47Å; E90-L126 HydrophobicContact CG-CD1 3.96Å; E90-L126 HydrophobicContact CG-CD2 4.25Å; E90-L126 HydrophobicContact CG-CG 4.23Å; V98-L126 HydrophobicContact CG1-CD2 3.97Å; I102-L126 HydrophobicContact CD1-CD2 4.16Å; I122-L126 HydrophobicContact CG2-CB 3.64Å; I122-L126 HydrophobicContact CG2-CD1 4.39Å; N123-L126 PolarHBondContact O-N 3.25Å; N123-L126 WeakPolarHBondContact OD1-CB 3.42Å; N123-L126 WeakPolarHBondContact OD1-CG 3.46Å; N123-L126 PolarHBondContact OD1-N 3.06Å; L126-T128 VanDerWaalsContact C-N 3.29Å; L126-T128 PolarHBondContact O-N 3.03Å; L126-R129 PolarHBondContact O-N 3.09Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.5Å; L126-I130 PolarHBondContact O-N 2.75Å
127L94.5Very high88.6Confident21 Ų2150.4 Ų50.411%0.1128%0.276CS..Hα-helixtrans-59.9-41.5176.1178.863.3000111.5I122 N123 N125 I130 A131 F149 K152 L153 K156I122-L127 HydrophobicContact CG2-CB 4.31Å; N123-L127 WeakPolarHBondContact O-CB 3.31Å; N123-L127 PolarHBondContact O-N 2.99Å; N125-L127 VanDerWaalsContact C-N 3.35Å; L127-I130 PolarHBondContact O-N 3.36Å; L127-A131 VanDerWaalsContact O-CB 3.28Å; L127-A131 WeakPolarHBondContact O-CB 3.4Å; L127-A131 PolarHBondContact O-N 2.79Å; L127-F149 HydrophobicContact CD1-CD2 4.4Å; L127-F149 HydrophobicContact CD1-CE1 4.18Å; L127-F149 HydrophobicContact CD1-CE2 3.52Å; L127-F149 HydrophobicContact CD1-CZ 3.4Å; L127-F149 VanDerWaalsContact CD1-CZ 3.4Å; L127-K152 HydrophobicContact CD1-CB 3.93Å; L127-K152 HydrophobicContact CD2-CB 3.89Å; L127-L153 HydrophobicContact CD1-CD2 4.19Å; L127-K156 HydrophobicContact CD2-CD 4.48Å; L127-K156 HydrophobicContact CD2-CG 3.94Å; L127-K156 HydrophobicContact CG-CG 3.79Å
128T93.8Very high89.5Confident25 Ų2552.9 Ų52.915%0.15329%0.286CS..Hα-helixtrans-64.7-46.1176.6-54.90000111.1A124 N125 L126 I130 A131 D132 K156A124-T128 WeakPolarHBondContact O-CB 3.49Å; A124-T128 PolarHBondContact O-N 3.44Å; A124-T128 PolarHBondContact O-OG1 3.45Å; N125-T128 PolarHBondContact O-N 3.33Å; L126-T128 VanDerWaalsContact C-N 3.29Å; L126-T128 PolarHBondContact O-N 3.03Å; T128-I130 VanDerWaalsContact C-N 3.33Å; T128-I130 PolarHBondContact O-N 3.39Å; T128-A131 PolarHBondContact O-N 2.87Å; T128-A131 VanDerWaalsContact O-N 3.15Å; T128-D132 VanDerWaalsContact O-CG 3.3Å; T128-D132 PolarHBondContact O-N 3.44Å; T128-K156 WeakPolarHBondContact OG1-CE 3.48Å
129R95.1Very high90.4Very high90 Ų9048 Ų4834%0.3426%0.259SS..Hα-helixtrans-59.1-42176.3-72.4175.366.2-172.51112.5V98 E99 I102 N125 L126V98-R129 VanDerWaalsContact CG1-NH1 3.29Å; E99-R129 IonicContact OE2-CZ 3.69Å; E99-R129 IonicContact OE2-NH2 2.74Å; E99-R129 PolarHBondContact OE2-NH2 3.43Å; I102-R129 HydrophobicContact CD1-CB 3.99Å; N125-R129 WeakPolarHBondContact O-CG 3.31Å; N125-R129 PolarHBondContact O-N 3.08Å; L126-R129 PolarHBondContact O-N 3.09Å
130I95.4Very high91.5Very high0 Ų051.8 Ų51.80%028%0.28CS..Hα-helixtrans-65.7-47175.3-64.2164.9000109.7L86 I102 C105 M109 L126 L127 T128 D132 L133 F134 F149 L153L86-I130 HydrophobicContact CD2-CD1 3.96Å; I102-I130 HydrophobicContact CB-CG1 4.46Å; I102-I130 HydrophobicContact CG1-CG1 4.05Å; I102-I130 HydrophobicContact CG2-CG1 4.13Å; C105-I130 HydrophobicContact CB-CD1 4.42Å; C105-I130 HydrophobicContact CB-CG2 4.46Å; M109-I130 HydrophobicContact CE-CG2 4.01Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.5Å; L126-I130 PolarHBondContact O-N 2.75Å; L127-I130 PolarHBondContact O-N 3.36Å; T128-I130 VanDerWaalsContact C-N 3.33Å; T128-I130 PolarHBondContact O-N 3.39Å; I130-D132 VanDerWaalsContact C-N 3.26Å; I130-D132 PolarHBondContact O-N 3.13Å; I130-L133 WeakPolarHBondContact O-CB 3.43Å; I130-L133 PolarHBondContact O-N 3.1Å; I130-L133 VanDerWaalsContact O-N 3.07Å; I130-F134 HydrophobicContact CG2-CD2 4.17Å; I130-F134 HydrophobicContact CG2-CE2 3.74Å; I130-F134 VanDerWaalsContact O-CD2 3.3Å; I130-F134 WeakPolarHBondContact O-CD2 3.09Å; I130-F149 HydrophobicContact CB-CZ 4.47Å; I130-F149 HydrophobicContact CD1-CZ 4.04Å; I130-F149 HydrophobicContact CG2-CE1 3.77Å; I130-F149 HydrophobicContact CG2-CZ 4.09Å; I130-L153 HydrophobicContact CG2-CD2 4.29Å
131A94.4Very high92.5Very high1 Ų151.6 Ų51.61%0.00828%0.279CS..Hα-helixtrans-61.6-32.718000000113.5L127 T128 L133 F134 L153 K156 K157L127-A131 VanDerWaalsContact O-CB 3.28Å; L127-A131 WeakPolarHBondContact O-CB 3.4Å; L127-A131 PolarHBondContact O-N 2.79Å; T128-A131 PolarHBondContact O-N 2.87Å; T128-A131 VanDerWaalsContact O-N 3.15Å; A131-L133 PolarHBondContact O-N 3.41Å; A131-F134 PolarHBondContact O-N 2.96Å; A131-L153 HydrophobicContact CB-CD2 3.68Å; A131-K156 HydrophobicContact CB-CB 3.62Å; A131-K156 HydrophobicContact CB-CG 4.28Å; A131-K157 WeakPolarHBondContact O-CE 3.44Å; A131-K157 PolarHBondContact O-NZ 3.3Å
132D92.8Very high93.3Very high49 Ų4948.2 Ų48.226%0.26226%0.255SS..Hα-helixtrans-66.1-22.7176.5-74.5-27.7000112.7T128 I130 R160 Y166T128-D132 VanDerWaalsContact O-CG 3.3Å; T128-D132 PolarHBondContact O-N 3.44Å; I130-D132 VanDerWaalsContact C-N 3.26Å; I130-D132 PolarHBondContact O-N 3.13Å; D132-R160 IonicContact OD1-CZ 3.26Å; D132-R160 IonicContact OD1-NE 2.84Å; D132-R160 PolarHBondContact OD1-NE 3.35Å; D132-R160 IonicContact OD1-NH2 3.85Å; D132-R160 IonicContact OD2-CZ 3.83Å; D132-R160 IonicContact OD2-NE 3.75Å; D132-R160 IonicContact OD2-NH2 3.93Å; D132-R160 PolarHBondContact OD2-NH2 2.94Å; D132-Y166 VanDerWaalsContact OD1-CE2 3.29Å; D132-Y166 WeakPolarHBondContact OD1-CE2 3.47Å; D132-Y166 PolarHBondContact OD1-OH 2.84Å
133L94.1Very high93.7Very high55 Ų5555.2 Ų55.229%0.28829%0.285SS..Hα-helixtrans-78.6-26.1173.8-63.1-176.8000113.8I102 H106 I130 A131I102-L133 HydrophobicContact CG2-CD1 3.52Å; I102-L133 HydrophobicContact CG2-CG 4.42Å; H106-L133 HydrophobicContact CB-CB 4.12Å; H106-L133 HydrophobicContact CB-CD1 3.81Å; H106-L133 PolarHBondContact NE2-O 2.77Å; I130-L133 WeakPolarHBondContact O-CB 3.43Å; I130-L133 PolarHBondContact O-N 3.1Å; I130-L133 VanDerWaalsContact O-N 3.07Å; A131-L133 PolarHBondContact O-N 3.41Å
134F94.3Very high93.8Very high6 Ų652.7 Ų52.73%0.02627%0.272CS..SBendtrans-86143.7-177.8-77.9-87.2000111.8H106 M109 I130 A131 E138 I139 L142 L153 K157H106-F134 HydrophobicContact CB-CE2 4.24Å; H106-F134 HydrophobicContact CB-CZ 4.33Å; H106-F134 AromaticContact CD2-CD1 3.74Å; H106-F134 AromaticContact CD2-CD2 3.73Å; H106-F134 AromaticContact CD2-CE1 3.67Å; H106-F134 AromaticContact CD2-CE2 3.66Å; H106-F134 AromaticContact CD2-CG 3.75Å; H106-F134 AromaticContact CD2-CZ 3.62Å; M109-F134 HydrophobicContact CB-CE1 4.33Å; M109-F134 HydrophobicContact CB-CZ 3.8Å; M109-F134 HydrophobicContact CE-CE2 3.85Å; M109-F134 HydrophobicContact CE-CZ 3.86Å; M109-F134 HydrophobicContact CG-CZ 4.06Å; I130-F134 HydrophobicContact CG2-CD2 4.17Å; I130-F134 HydrophobicContact CG2-CE2 3.74Å; I130-F134 VanDerWaalsContact O-CD2 3.3Å; I130-F134 WeakPolarHBondContact O-CD2 3.09Å; A131-F134 PolarHBondContact O-N 2.96Å; F134-E138 WeakPolarHBondContact CA-OE2 3.49Å; F134-E138 HydrophobicContact CD1-CB 3.85Å; F134-I139 HydrophobicContact CB-CD1 3.99Å; F134-I139 HydrophobicContact CB-CG1 3.64Å; F134-I139 HydrophobicContact CD1-CG1 4.28Å; F134-I139 HydrophobicContact CG-CG1 4.12Å; F134-L142 HydrophobicContact CE1-CD2 4.27Å; F134-L153 HydrophobicContact CD2-CD1 4Å; F134-L153 HydrophobicContact CD2-CD2 4.39Å; F134-L153 HydrophobicContact CE2-CD1 4.16Å; F134-L153 HydrophobicContact CG-CD1 4.27Å; F134-K157 WeakPolarHBondContact O-CE 3.21Å; F134-K157 PolarHBondContact O-NZ 2.8Å
135T93.1Very high93.7Very high42 Ų4260.2 Ų60.226%0.25829%0.294SS..  trans-83.9157.1158.969.70000110.6N137 E138 I139 D170T135-N137 PolarHBondContact O-N 2.85Å; T135-E138 PolarHBondContact N-OE2 3.26Å; T135-E138 PolarHBondContact O-N 3.29Å; T135-E138 VanDerWaalsContact O-N 3.16Å; T135-E138 VanDerWaalsContact OG1-CG 3.29Å; T135-E138 WeakPolarHBondContact OG1-CG 3.28Å; T135-E138 PolarHBondContact OG1-N 3.22Å; T135-E138 VanDerWaalsContact OG1-N 3.15Å; T135-I139 WeakPolarHBondContact O-CG1 3.43Å; T135-I139 PolarHBondContact O-N 3.46Å; T135-D170 VanDerWaalsContact CA-OD2 3.25Å; T135-D170 WeakPolarHBondContact CA-OD2 3.14Å; T135-D170 VanDerWaalsContact CB-OD1 3.25Å; T135-D170 WeakPolarHBondContact CB-OD1 3.5Å; T135-D170 VanDerWaalsContact CG2-OD1 3.27Å; T135-D170 WeakPolarHBondContact CG2-OD1 3.23Å
136H91.2Very high93.6Very high78 Ų7862.9 Ų62.936%0.36130%0.3SS..Hα-helixtrans-57.4-33.4174.963-76.9000113I139 D140 F154 D170H136-I139 PolarHBondContact O-N 3.48Å; H136-D140 PolarHBondContact O-N 3.47Å; H136-F154 HydrophobicContact CB-CE1 4.41Å; H136-D170 IonicContact CE1-OD2 3.51Å; H136-D170 IonicContact CG-OD2 3.71Å; H136-D170 PolarHBondContact N-OD2 3.22Å; H136-D170 VanDerWaalsContact ND1-CB 3.25Å; H136-D170 WeakPolarHBondContact ND1-CB 3.45Å; H136-D170 IonicContact ND1-OD2 3.91Å; H136-D170 PolarHBondContact ND1-OD2 3.45Å
137N93.3Very high93.4Very high95 Ų9566.4 Ų66.451%0.50832%0.319SS..Hα-helixtrans-68-44.8175.7-65.9-46000111.4T135 I139 D140 D141T135-N137 PolarHBondContact O-N 2.85Å; N137-I139 VanDerWaalsContact C-N 3.26Å; N137-I139 PolarHBondContact O-N 2.84Å; N137-D140 WeakPolarHBondContact O-CB 3.5Å; N137-D140 PolarHBondContact O-N 3.36Å; N137-D140 VanDerWaalsContact O-N 3.08Å; N137-D141 PolarHBondContact O-N 3.23Å
138E95Very high93.2Very high75 Ų7567.5 Ų67.535%0.3532%0.323SS..Hα-helixtrans-61-36.4175.8-71.9174143.400111.9H106 F134 T135 L142H106-E138 IonicContact CE1-OE1 3.69Å; H106-E138 IonicContact NE2-OE1 2.77Å; H106-E138 IonicContact NE2-OE2 3.65Å; H106-E138 PolarHBondContact NE2-OE2 2.68Å; F134-E138 WeakPolarHBondContact CA-OE2 3.49Å; F134-E138 HydrophobicContact CD1-CB 3.85Å; T135-E138 PolarHBondContact N-OE2 3.26Å; T135-E138 PolarHBondContact O-N 3.29Å; T135-E138 VanDerWaalsContact O-N 3.16Å; T135-E138 VanDerWaalsContact OG1-CG 3.29Å; T135-E138 WeakPolarHBondContact OG1-CG 3.28Å; T135-E138 PolarHBondContact OG1-N 3.22Å; T135-E138 VanDerWaalsContact OG1-N 3.15Å; E138-L142 WeakPolarHBondContact O-CG 3.42Å; E138-L142 PolarHBondContact O-N 3.4Å
139I94.5Very high93.1Very high0 Ų066.4 Ų66.40%032%0.316CS..Hα-helixtrans-66.3-41.2174.9-57.8166.1000110.4F134 T135 H136 N137 D141 L142 R150 L153 F154 K157F134-I139 HydrophobicContact CB-CD1 3.99Å; F134-I139 HydrophobicContact CB-CG1 3.64Å; F134-I139 HydrophobicContact CD1-CG1 4.28Å; F134-I139 HydrophobicContact CG-CG1 4.12Å; T135-I139 WeakPolarHBondContact O-CG1 3.43Å; T135-I139 PolarHBondContact O-N 3.46Å; H136-I139 PolarHBondContact O-N 3.48Å; N137-I139 VanDerWaalsContact C-N 3.26Å; N137-I139 PolarHBondContact O-N 2.84Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 2.98Å; I139-L142 HydrophobicContact CG2-CD1 4.34Å; I139-L142 WeakPolarHBondContact O-CB 3.31Å; I139-L142 WeakPolarHBondContact O-CG 3.29Å; I139-L142 PolarHBondContact O-N 2.79Å; I139-R150 HydrophobicContact CG2-CG 4.02Å; I139-L153 HydrophobicContact CD1-CB 3.84Å; I139-L153 HydrophobicContact CG1-CB 4.09Å; I139-L153 HydrophobicContact CG1-CD1 4.11Å; I139-L153 HydrophobicContact CG2-CB 3.9Å; I139-L153 HydrophobicContact CG2-CD1 4.32Å; I139-F154 HydrophobicContact CB-CE1 4.16Å; I139-F154 HydrophobicContact CB-CE2 4.1Å; I139-F154 HydrophobicContact CB-CZ 3.85Å; I139-F154 HydrophobicContact CG2-CD1 4.26Å; I139-F154 HydrophobicContact CG2-CD2 3.53Å; I139-F154 HydrophobicContact CG2-CE1 4.06Å; I139-F154 HydrophobicContact CG2-CE2 3.32Å; I139-F154 HydrophobicContact CG2-CG 4.01Å; I139-F154 HydrophobicContact CG2-CZ 3.6Å; I139-K157 HydrophobicContact CD1-CG 3.7Å
140D93.9Very high93Very high88 Ų8865.5 Ų65.547%0.47131%0.312SS..Hα-helixtrans-64.8-34.8179.8-157.758.6000112.4H136 N137 L142 R150 F154H136-D140 PolarHBondContact O-N 3.47Å; N137-D140 WeakPolarHBondContact O-CB 3.5Å; N137-D140 PolarHBondContact O-N 3.36Å; N137-D140 VanDerWaalsContact O-N 3.08Å; D140-L142 VanDerWaalsContact C-N 3.26Å; D140-L142 PolarHBondContact O-N 3.4Å; D140-R150 PolarHBondContact O-NH1 2.78Å; D140-R150 PolarHBondContact O-NH2 3.25Å; D140-R150 IonicContact OD1-CZ 3.77Å; D140-R150 IonicContact OD1-NH2 2.65Å; D140-R150 PolarHBondContact OD1-NH2 2.68Å; D140-F154 HydrophobicContact CB-CZ 4.26Å
141D95.7Very high93Very high121 Ų12168 Ų6865%0.64733%0.33SS*.THydrogen-bonded Turntrans-76-6.9177.4-74.1-26.5000114N137 I139 K143N137-D141 PolarHBondContact O-N 3.23Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 2.98Å; D141-K143 PolarHBondContact O-N 3.01Å
142L95.4Very high92.9Very high9 Ų970.7 Ų70.75%0.04734%0.342CS..  trans-65.3129.9178.6-67.2178.9000112.1M109 F134 E138 I139 D140 D144 R150 L153M109-L142 HydrophobicContact CB-CD2 3.83Å; M109-L142 HydrophobicContact CG-CD1 3.91Å; M109-L142 HydrophobicContact CG-CD2 3.71Å; M109-L142 HydrophobicContact CG-CG 4.47Å; F134-L142 HydrophobicContact CE1-CD2 4.27Å; E138-L142 WeakPolarHBondContact O-CG 3.42Å; E138-L142 PolarHBondContact O-N 3.4Å; I139-L142 HydrophobicContact CG2-CD1 4.34Å; I139-L142 WeakPolarHBondContact O-CB 3.31Å; I139-L142 WeakPolarHBondContact O-CG 3.29Å; I139-L142 PolarHBondContact O-N 2.79Å; D140-L142 VanDerWaalsContact C-N 3.26Å; D140-L142 PolarHBondContact O-N 3.4Å; L142-D144 PolarHBondContact O-N 2.82Å; L142-R150 PolarHBondContact O-NH1 3.11Å; L142-L153 HydrophobicContact CD1-CD1 3.76Å
143K94.3Very high93Very high167 Ų16768.4 Ų68.473%0.72633%0.329SS*.  trans-82.552176.1-61.4-179.4-177.9175.20111.8N110 D141 K145N110-K143 PolarHBondContact OD1-N 3.25Å; D141-K143 PolarHBondContact O-N 3.01Å; K143-K145 PolarHBondContact O-N 3.07Å
144D91.9Very high93.1Very high13 Ų1368.6 Ų68.67%0.0733%0.328CS..  trans-98.770.4-177.3-171.710.8000112.3V113 L142 K146 D147 K148 F149 R150V113-D144 HydrophobicContact CB-CB 4.33Å; V113-D144 HydrophobicContact CG1-CB 4.36Å; V113-D144 HydrophobicContact CG2-CB 4.11Å; L142-D144 PolarHBondContact O-N 2.82Å; D144-K146 PolarHBondContact O-N 3.01Å; D144-K146 VanDerWaalsContact O-N 3.11Å; D144-D147 PolarHBondContact O-N 3.44Å; D144-D147 PolarHBondContact OD1-N 3.47Å; D144-D147 WeakPolarHBondContact OD2-CA 3.31Å; D144-K148 VanDerWaalsContact CG-N 3.28Å; D144-K148 PolarHBondContact OD1-N 2.98Å; D144-K148 PolarHBondContact OD2-N 3.44Å; D144-F149 PolarHBondContact OD2-N 2.65Å; D144-R150 HydrophobicContact CB-CB 3.97Å; D144-R150 PolarHBondContact OD2-N 3.42Å
145K88.9Confident93.1Very high211 Ų21171.5 Ų71.592%0.91735%0.348SS*.THydrogen-bonded Turntrans-60.5-23.4-176.2-65.8-174.5179.5-177.90114.4K143K143-K145 PolarHBondContact O-N 3.07Å
146K90.1Very high93.1Very high172 Ų17270.6 Ų70.675%0.74834%0.341SS*.THydrogen-bonded Turntrans-100.24.8-178.5-67.6-174.3177.6-1770112.3D144 K148D144-K146 PolarHBondContact O-N 3.01Å; D144-K146 VanDerWaalsContact O-N 3.11Å; K146-K148 VanDerWaalsContact C-N 3.26Å; K146-K148 HydrophobicContact CB-CG 4.15Å; K146-K148 PolarHBondContact O-N 3.23Å
147D90.6Very high93.2Very high76 Ų7667.4 Ų67.441%0.40633%0.326SS..  trans47.746.6-178.4-166.129.5000113.6D144 F149 S151D144-D147 PolarHBondContact O-N 3.44Å; D144-D147 PolarHBondContact OD1-N 3.47Å; D144-D147 WeakPolarHBondContact OD2-CA 3.31Å; D147-F149 VanDerWaalsContact C-N 3.27Å; D147-F149 PolarHBondContact O-N 3.21Å; D147-S151 VanDerWaalsContact OD1-CB 3.23Å; D147-S151 WeakPolarHBondContact OD1-CB 3.28Å; D147-S151 PolarHBondContact OD1-N 3.08Å; D147-S151 PolarHBondContact OD1-OG 3.2Å; D147-S151 WeakPolarHBondContact OD2-CB 3.4Å; D147-S151 PolarHBondContact OD2-OG 2.8Å
148K89.4Confident93.1Very high45 Ų4567.5 Ų67.520%0.19633%0.325CS..SBendtrans-69.4-30.1178.9-66.6-179.3-179.8172.70112V113 A115 M119 D144 K146 K152V113-K148 WeakPolarHBondContact O-CD 3.25Å; V113-K148 WeakPolarHBondContact O-CE 3.46Å; V113-K148 PolarHBondContact O-NZ 2.92Å; A115-K148 PolarHBondContact O-NZ 2.93Å; M119-K148 HydrophobicContact CE-CD 4.5Å; M119-K148 HydrophobicContact SD-CB 3.98Å; D144-K148 VanDerWaalsContact CG-N 3.28Å; D144-K148 PolarHBondContact OD1-N 2.98Å; D144-K148 PolarHBondContact OD2-N 3.44Å; K146-K148 VanDerWaalsContact C-N 3.26Å; K146-K148 HydrophobicContact CB-CG 4.15Å; K146-K148 PolarHBondContact O-N 3.23Å; K148-K152 PolarHBondContact O-NZ 3.37Å; K148-K152 VanDerWaalsContact O-NZ 3.11Å
149F91.5Very high92.9Very high2 Ų268.9 Ų68.91%0.00933%0.332CS..SBendtrans-145.3-30.9-168.5-147.9-113.5000114.7M109 V113 M119 I122 L127 I130 D144 D147 S151 K152 L153M109-F149 HydrophobicContact CE-CD1 3.42Å; M109-F149 VanDerWaalsContact CE-CD1 3.42Å; M109-F149 HydrophobicContact CE-CE1 3.29Å; M109-F149 HydrophobicContact CE-CG 4.49Å; M109-F149 HydrophobicContact CE-CZ 4.3Å; M109-F149 HydrophobicContact SD-CB 4.43Å; M109-F149 HydrophobicContact SD-CD1 3.49Å; M109-F149 WeakPolarHBondContact SD-CD1 3.27Å; M109-F149 HydrophobicContact SD-CE1 4Å; M109-F149 HydrophobicContact SD-CG 4.14Å; V113-F149 HydrophobicContact CG1-CB 4.02Å; M119-F149 HydrophobicContact SD-CB 4.21Å; M119-F149 HydrophobicContact SD-CD2 4.21Å; M119-F149 HydrophobicContact SD-CG 4.43Å; I122-F149 HydrophobicContact CD1-CE2 3.78Å; I122-F149 HydrophobicContact CD1-CZ 4.39Å; L127-F149 HydrophobicContact CD1-CD2 4.4Å; L127-F149 HydrophobicContact CD1-CE1 4.18Å; L127-F149 HydrophobicContact CD1-CE2 3.52Å; L127-F149 HydrophobicContact CD1-CZ 3.4Å; L127-F149 VanDerWaalsContact CD1-CZ 3.4Å; I130-F149 HydrophobicContact CB-CZ 4.47Å; I130-F149 HydrophobicContact CD1-CZ 4.04Å; I130-F149 HydrophobicContact CG2-CE1 3.77Å; I130-F149 HydrophobicContact CG2-CZ 4.09Å; D144-F149 PolarHBondContact OD2-N 2.65Å; D147-F149 VanDerWaalsContact C-N 3.27Å; D147-F149 PolarHBondContact O-N 3.21Å; F149-S151 PolarHBondContact O-N 2.88Å; F149-K152 HydrophobicContact CD2-CD 4.31Å; F149-K152 WeakPolarHBondContact O-CB 3.25Å; F149-K152 PolarHBondContact O-N 3.08Å; F149-K152 VanDerWaalsContact O-N 3.08Å; F149-L153 HydrophobicContact CD1-CD1 3.64Å; F149-L153 HydrophobicContact CD1-CD2 3.96Å; F149-L153 HydrophobicContact CD1-CG 3.6Å; F149-L153 HydrophobicContact CE1-CD1 3.91Å; F149-L153 HydrophobicContact CE1-CD2 3.47Å; F149-L153 VanDerWaalsContact CE1-CD2 3.47Å; F149-L153 HydrophobicContact CE1-CG 3.68Å; F149-L153 HydrophobicContact CZ-CD2 4.17Å; F149-L153 PolarHBondContact O-N 3.04Å
150R93.7Very high92.7Very high70 Ų7071.7 Ų71.726%0.26434%0.342SS..Hα-helixtrans-55.2-52.5-175.8179.8175.8174.3153.2-1.1113I139 D140 L142 D144 K152 L153 F154I139-R150 HydrophobicContact CG2-CG 4.02Å; D140-R150 PolarHBondContact O-NH1 2.78Å; D140-R150 PolarHBondContact O-NH2 3.25Å; D140-R150 IonicContact OD1-CZ 3.77Å; D140-R150 IonicContact OD1-NH2 2.65Å; D140-R150 PolarHBondContact OD1-NH2 2.68Å; L142-R150 PolarHBondContact O-NH1 3.11Å; D144-R150 HydrophobicContact CB-CB 3.97Å; D144-R150 PolarHBondContact OD2-N 3.42Å; R150-K152 VanDerWaalsContact C-N 3.29Å; R150-K152 PolarHBondContact O-N 3.49Å; R150-L153 WeakPolarHBondContact O-CB 3.43Å; R150-L153 PolarHBondContact O-N 3.11Å; R150-F154 HydrophobicContact CG-CD2 3.98Å; R150-F154 HydrophobicContact CG-CE2 3.89Å; R150-F154 WeakPolarHBondContact O-CD2 3.5Å; R150-F154 PolarHBondContact O-N 3.26Å
151S94.4Very high92.4Very high53 Ų5370.1 Ų70.137%0.37133%0.334SS..Hα-helixtrans-62.8-36.1177.2-71.50000112.5D147 F149 L153 F154 C155D147-S151 VanDerWaalsContact OD1-CB 3.23Å; D147-S151 WeakPolarHBondContact OD1-CB 3.28Å; D147-S151 PolarHBondContact OD1-N 3.08Å; D147-S151 PolarHBondContact OD1-OG 3.2Å; D147-S151 WeakPolarHBondContact OD2-CB 3.4Å; D147-S151 PolarHBondContact OD2-OG 2.8Å; F149-S151 PolarHBondContact O-N 2.88Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 2.89Å; S151-F154 PolarHBondContact O-N 3.18Å; S151-C155 WeakPolarHBondContact O-CB 3.34Å; S151-C155 PolarHBondContact O-N 3.12Å; S151-C155 PolarHBondContact O-SG 3.01Å
152K94.1Very high92.1Very high58 Ų5870.1 Ų70.125%0.25233%0.328SS..Hα-helixtrans-62.6-40.4177.1-66.1177.1-178.9159.30111.5M119 N120 L127 K148 F149 R150 K156M119-K152 PolarHBondContact O-NZ 3.06Å; N120-K152 PolarHBondContact OD1-NZ 2.99Å; L127-K152 HydrophobicContact CD1-CB 3.93Å; L127-K152 HydrophobicContact CD2-CB 3.89Å; K148-K152 PolarHBondContact O-NZ 3.37Å; K148-K152 VanDerWaalsContact O-NZ 3.11Å; F149-K152 HydrophobicContact CD2-CD 4.31Å; F149-K152 WeakPolarHBondContact O-CB 3.25Å; F149-K152 PolarHBondContact O-N 3.08Å; F149-K152 VanDerWaalsContact O-N 3.08Å; R150-K152 VanDerWaalsContact C-N 3.29Å; R150-K152 PolarHBondContact O-N 3.49Å; K152-K156 PolarHBondContact O-N 3.29Å; K152-K156 VanDerWaalsContact O-N 3.15Å
153L94.4Very high91.8Very high0 Ų072 Ų720%034%0.339CS..Hα-helixtrans-65.2-46.2174.9-68.9-178.1000111.8L127 I130 A131 F134 I139 L142 F149 R150 S151 C155 K156 K157L127-L153 HydrophobicContact CD1-CD2 4.19Å; I130-L153 HydrophobicContact CG2-CD2 4.29Å; A131-L153 HydrophobicContact CB-CD2 3.68Å; F134-L153 HydrophobicContact CD2-CD1 4Å; F134-L153 HydrophobicContact CD2-CD2 4.39Å; F134-L153 HydrophobicContact CE2-CD1 4.16Å; F134-L153 HydrophobicContact CG-CD1 4.27Å; I139-L153 HydrophobicContact CD1-CB 3.84Å; I139-L153 HydrophobicContact CG1-CB 4.09Å; I139-L153 HydrophobicContact CG1-CD1 4.11Å; I139-L153 HydrophobicContact CG2-CB 3.9Å; I139-L153 HydrophobicContact CG2-CD1 4.32Å; L142-L153 HydrophobicContact CD1-CD1 3.76Å; F149-L153 HydrophobicContact CD1-CD1 3.64Å; F149-L153 HydrophobicContact CD1-CD2 3.96Å; F149-L153 HydrophobicContact CD1-CG 3.6Å; F149-L153 HydrophobicContact CE1-CD1 3.91Å; F149-L153 HydrophobicContact CE1-CD2 3.47Å; F149-L153 VanDerWaalsContact CE1-CD2 3.47Å; F149-L153 HydrophobicContact CE1-CG 3.68Å; F149-L153 HydrophobicContact CZ-CD2 4.17Å; F149-L153 PolarHBondContact O-N 3.04Å; R150-L153 WeakPolarHBondContact O-CB 3.43Å; R150-L153 PolarHBondContact O-N 3.11Å; S151-L153 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 2.89Å; L153-C155 VanDerWaalsContact C-N 3.35Å; L153-C155 PolarHBondContact O-N 2.97Å; L153-K156 PolarHBondContact O-N 3.16Å; L153-K157 PolarHBondContact O-N 3.11Å
154F95.1Very high91.5Very high59 Ų5968 Ų6826%0.25933%0.329SS..Hα-helixtrans-62.4-40.6175.8-83.1-59.6000112.5H136 I139 D140 R150 S151 K156 K157 I158H136-F154 HydrophobicContact CB-CE1 4.41Å; I139-F154 HydrophobicContact CB-CE1 4.16Å; I139-F154 HydrophobicContact CB-CE2 4.1Å; I139-F154 HydrophobicContact CB-CZ 3.85Å; I139-F154 HydrophobicContact CG2-CD1 4.26Å; I139-F154 HydrophobicContact CG2-CD2 3.53Å; I139-F154 HydrophobicContact CG2-CE1 4.06Å; I139-F154 HydrophobicContact CG2-CE2 3.32Å; I139-F154 HydrophobicContact CG2-CG 4.01Å; I139-F154 HydrophobicContact CG2-CZ 3.6Å; D140-F154 HydrophobicContact CB-CZ 4.26Å; R150-F154 HydrophobicContact CG-CD2 3.98Å; R150-F154 HydrophobicContact CG-CE2 3.89Å; R150-F154 WeakPolarHBondContact O-CD2 3.5Å; R150-F154 PolarHBondContact O-N 3.26Å; S151-F154 PolarHBondContact O-N 3.18Å; F154-K156 VanDerWaalsContact C-N 3.31Å; F154-K156 PolarHBondContact O-N 3.35Å; F154-K157 PolarHBondContact O-N 2.94Å; F154-K157 VanDerWaalsContact O-N 3.14Å; F154-I158 WeakPolarHBondContact O-CG1 3.38Å; F154-I158 PolarHBondContact O-N 3.05Å
155C94.6Very high91.3Very high67 Ų6775.6 Ų75.645%0.45336%0.364SS..Hα-helixtrans-55.9-46.9173.6-730000111.2S151 L153 K157 I158 E159S151-C155 WeakPolarHBondContact O-CB 3.34Å; S151-C155 PolarHBondContact O-N 3.12Å; S151-C155 PolarHBondContact O-SG 3.01Å; L153-C155 VanDerWaalsContact C-N 3.35Å; L153-C155 PolarHBondContact O-N 2.97Å; C155-K157 PolarHBondContact O-N 3.39Å; C155-I158 PolarHBondContact O-N 3.28Å; C155-E159 WeakPolarHBondContact O-CG 3.33Å; C155-E159 PolarHBondContact O-N 3.2Å
156K94.1Very high91.1Very high23 Ų2367.1 Ų67.110%0.133%0.327CS..Hα-helixtrans-63.7-38.9175.8-70.8-49-174.2-178.80113.2L127 T128 A131 K152 L153 F154 I158 E159 R160L127-K156 HydrophobicContact CD2-CD 4.48Å; L127-K156 HydrophobicContact CD2-CG 3.94Å; L127-K156 HydrophobicContact CG-CG 3.79Å; T128-K156 WeakPolarHBondContact OG1-CE 3.48Å; A131-K156 HydrophobicContact CB-CB 3.62Å; A131-K156 HydrophobicContact CB-CG 4.28Å; K152-K156 PolarHBondContact O-N 3.29Å; K152-K156 VanDerWaalsContact O-N 3.15Å; L153-K156 PolarHBondContact O-N 3.16Å; F154-K156 VanDerWaalsContact C-N 3.31Å; F154-K156 PolarHBondContact O-N 3.35Å; K156-I158 VanDerWaalsContact C-N 3.34Å; K156-I158 PolarHBondContact O-N 3.02Å; K156-E159 WeakPolarHBondContact CD-OE2 3.44Å; K156-E159 IonicContact NZ-OE1 3.43Å; K156-E159 PolarHBondContact NZ-OE1 3.38Å; K156-E159 IonicContact NZ-OE2 2.66Å; K156-E159 PolarHBondContact NZ-OE2 2.96Å; K156-E159 PolarHBondContact O-N 3.33Å; K156-R160 WeakPolarHBondContact O-CB 3.4Å; K156-R160 VanDerWaalsContact O-CG 3.31Å; K156-R160 WeakPolarHBondContact O-CG 3.38Å; K156-R160 PolarHBondContact O-N 3.38Å
157K91.4Very high90.8Very high12 Ų1264 Ų645%0.05233%0.327CS..Hα-helixtrans-62.8-40.1173.5-72.7-61.7-171.1-175.50112.5A131 F134 I139 L153 F154 C155 R160 L161A131-K157 WeakPolarHBondContact O-CE 3.44Å; A131-K157 PolarHBondContact O-NZ 3.3Å; F134-K157 WeakPolarHBondContact O-CE 3.21Å; F134-K157 PolarHBondContact O-NZ 2.8Å; I139-K157 HydrophobicContact CD1-CG 3.7Å; L153-K157 PolarHBondContact O-N 3.11Å; F154-K157 PolarHBondContact O-N 2.94Å; F154-K157 VanDerWaalsContact O-N 3.14Å; C155-K157 PolarHBondContact O-N 3.39Å; K157-R160 WeakPolarHBondContact O-CB 3.33Å; K157-R160 PolarHBondContact O-N 2.87Å; K157-L161 PolarHBondContact O-N 3.23Å
158I91.4Very high90.2Very high96 Ų9661.3 Ų61.349%0.49231%0.312SS..Hα-helixtrans-66.4-45.9176-67.5166.7000110.4F154 C155 K156 R160 L161 F162F154-I158 WeakPolarHBondContact O-CG1 3.38Å; F154-I158 PolarHBondContact O-N 3.05Å; C155-I158 PolarHBondContact O-N 3.28Å; K156-I158 VanDerWaalsContact C-N 3.34Å; K156-I158 PolarHBondContact O-N 3.02Å; I158-R160 VanDerWaalsContact C-N 3.26Å; I158-R160 PolarHBondContact O-N 3.48Å; I158-L161 WeakPolarHBondContact O-CB 3.4Å; I158-L161 PolarHBondContact O-N 2.85Å; I158-F162 HydrophobicContact CG2-CE2 3.91Å; I158-F162 WeakPolarHBondContact O-CD2 3.37Å
159E91.5Very high89.6Confident105 Ų10563.8 Ų63.849%0.49133%0.333SS..Hα-helixtrans-54.2-44.9174.3-73.1172.7-157.800111.2C155 K156 L161 F162C155-E159 WeakPolarHBondContact O-CG 3.33Å; C155-E159 PolarHBondContact O-N 3.2Å; K156-E159 WeakPolarHBondContact CD-OE2 3.44Å; K156-E159 IonicContact NZ-OE1 3.43Å; K156-E159 PolarHBondContact NZ-OE1 3.38Å; K156-E159 IonicContact NZ-OE2 2.66Å; K156-E159 PolarHBondContact NZ-OE2 2.96Å; K156-E159 PolarHBondContact O-N 3.33Å; E159-L161 VanDerWaalsContact C-N 3.25Å; E159-L161 PolarHBondContact O-N 3.47Å; E159-F162 PolarHBondContact O-N 3.14Å
160R90.3Very high89Confident58 Ų5866 Ų6622%0.21935%0.345CS..Hα-helixtrans-62.2-26176.8-76.3-54.3-160.5-178.7-0.1114.4D132 K156 K157 I158 F162 D163 Y166D132-R160 IonicContact OD1-CZ 3.26Å; D132-R160 IonicContact OD1-NE 2.84Å; D132-R160 PolarHBondContact OD1-NE 3.35Å; D132-R160 IonicContact OD1-NH2 3.85Å; D132-R160 IonicContact OD2-CZ 3.83Å; D132-R160 IonicContact OD2-NE 3.75Å; D132-R160 IonicContact OD2-NH2 3.93Å; D132-R160 PolarHBondContact OD2-NH2 2.94Å; K156-R160 WeakPolarHBondContact O-CB 3.4Å; K156-R160 VanDerWaalsContact O-CG 3.31Å; K156-R160 WeakPolarHBondContact O-CG 3.38Å; K156-R160 PolarHBondContact O-N 3.38Å; K157-R160 WeakPolarHBondContact O-CB 3.33Å; K157-R160 PolarHBondContact O-N 2.87Å; I158-R160 VanDerWaalsContact C-N 3.26Å; I158-R160 PolarHBondContact O-N 3.48Å; R160-F162 PolarHBondContact O-N 2.95Å; R160-D163 IonicContact NH1-OD2 3.11Å; R160-D163 PolarHBondContact NH1-OD2 3.43Å; R160-D163 VanDerWaalsContact NH1-OD2 3.11Å; R160-D163 PolarHBondContact O-N 2.66Å; R160-Y166 HydrophobicContact CB-CD1 3.61Å; R160-Y166 HydrophobicContact CB-CE1 3.54Å; R160-Y166 HydrophobicContact CB-CG 4.19Å; R160-Y166 VanDerWaalsContact CD-CD2 3.45Å; R160-Y166 HydrophobicContact CG-CD1 4.02Å; R160-Y166 HydrophobicContact CG-CD2 4.28Å; R160-Y166 HydrophobicContact CG-CE1 3.76Å; R160-Y166 HydrophobicContact CG-CE2 4.01Å; R160-Y166 HydrophobicContact CG-CG 4.24Å; R160-Y166 VanDerWaalsContact CZ-CD2 3.46Å
161L88.7Confident88.2Confident55 Ų5564.9 Ų64.929%0.28835%0.348SS..Hα-helixtrans-67.2-25.4174.3-67.8173.5000112.1K157 I158 E159 N174 A175K157-L161 PolarHBondContact O-N 3.23Å; I158-L161 WeakPolarHBondContact O-CB 3.4Å; I158-L161 PolarHBondContact O-N 2.85Å; E159-L161 VanDerWaalsContact C-N 3.25Å; E159-L161 PolarHBondContact O-N 3.47Å; L161-N174 CarbonylContact O-C 3.52Å; L161-N174 WeakPolarHBondContact O-CB 3.08Å; L161-A175 HydrophobicContact CB-CB 4.34Å; L161-A175 WeakPolarHBondContact O-CA 3.48Å; L161-A175 PolarHBondContact O-N 3.13Å
162F89.2Confident87.1Confident122 Ų12274.4 Ų74.454%0.53538%0.376SS..THydrogen-bonded Turntrans-93.6-0.2179.6-63-79.6000113.4I158 E159 R160 P164 A175I158-F162 HydrophobicContact CG2-CE2 3.91Å; I158-F162 WeakPolarHBondContact O-CD2 3.37Å; E159-F162 PolarHBondContact O-N 3.14Å; R160-F162 PolarHBondContact O-N 2.95Å; F162-P164 WeakPolarHBondContact O-CD 3.48Å; F162-A175 HydrophobicContact CD1-CB 4.03Å; F162-A175 VanDerWaalsContact CD1-O 3.25Å; F162-A175 WeakPolarHBondContact CD1-O 3.2Å; F162-A175 HydrophobicContact CE1-CB 3.78Å; F162-A175 HydrophobicContact CZ-CB 4.27Å
163D88.9Confident86.2Confident49 Ų4977.8 Ų77.826%0.26240%0.397SS..  trans-88.9110177.6-176.4-6.4000109.6R160 E165 Y166R160-D163 IonicContact NH1-OD2 3.11Å; R160-D163 PolarHBondContact NH1-OD2 3.43Å; R160-D163 VanDerWaalsContact NH1-OD2 3.11Å; R160-D163 PolarHBondContact O-N 2.66Å; D163-E165 PolarHBondContact O-N 3.15Å; D163-E165 PolarHBondContact OD1-N 3.39Å; D163-E165 VanDerWaalsContact OD1-N 3.12Å; D163-Y166 PolarHBondContact O-N 3.21Å
164P86.4Confident85.7Confident81 Ų8180.7 Ų80.753%0.52641%0.412SS..THydrogen-bonded Turntrans-66-24.7-176.926.9-33.6000112.9F162 A176F162-P164 WeakPolarHBondContact O-CD 3.48Å; P164-A176 HydrophobicContact CB-CB 3.86Å; P164-A176 HydrophobicContact CG-CB 4.49Å
165E87.9Confident85.3Confident173 Ų17378.8 Ų78.881%0.80841%0.407SS*.THydrogen-bonded Turntrans-89.2-8.8-178.9-57.9-57.3128.900112.2D163D163-E165 PolarHBondContact O-N 3.15Å; D163-E165 PolarHBondContact OD1-N 3.39Å; D163-E165 VanDerWaalsContact OD1-N 3.12Å
166Y85.8Confident84.9Confident34 Ų3477.4 Ų77.413%0.13340%0.401CS..  trans-89.1121.9179.5-175.1-100.8000112.1D132 R160 D163 N168D132-Y166 VanDerWaalsContact OD1-CE2 3.29Å; D132-Y166 WeakPolarHBondContact OD1-CE2 3.47Å; D132-Y166 PolarHBondContact OD1-OH 2.84Å; R160-Y166 HydrophobicContact CB-CD1 3.61Å; R160-Y166 HydrophobicContact CB-CE1 3.54Å; R160-Y166 HydrophobicContact CB-CG 4.19Å; R160-Y166 VanDerWaalsContact CD-CD2 3.45Å; R160-Y166 HydrophobicContact CG-CD1 4.02Å; R160-Y166 HydrophobicContact CG-CD2 4.28Å; R160-Y166 HydrophobicContact CG-CE1 3.76Å; R160-Y166 HydrophobicContact CG-CE2 4.01Å; R160-Y166 HydrophobicContact CG-CG 4.24Å; R160-Y166 VanDerWaalsContact CZ-CD2 3.46Å; D163-Y166 PolarHBondContact O-N 3.21Å; Y166-N168 HydrophobicContact CD1-CB 4.08Å; Y166-N168 HydrophobicContact CE1-CB 3.74Å
167S82.6Confident84.5Confident106 Ų10679.2 Ų79.274%0.74141%0.414SS*.  trans-91.9103.2170.4179.90000109.8P169S167-P169 WeakPolarHBondContact O-CD 3.38Å
168N78.3Confident84.2Confident20 Ų2083.8 Ų83.811%0.10744%0.438CS..  trans-71.5122.5175.8-175-10.4000110.2Y166 D170 S171Y166-N168 HydrophobicContact CD1-CB 4.08Å; Y166-N168 HydrophobicContact CE1-CB 3.74Å; N168-D170 PolarHBondContact O-N 3.31Å; N168-D170 VanDerWaalsContact OD1-CB 3.31Å; N168-D170 WeakPolarHBondContact OD1-CB 3.16Å; N168-D170 PolarHBondContact OD1-N 3.06Å; N168-S171 WeakPolarHBondContact CB-O 3.45Å; N168-S171 CarbonylContact O-C 3.6Å; N168-S171 PolarHBondContact O-N 2.96Å
169P78.2Confident84Confident97 Ų9785.6 Ų85.663%0.6344%0.44SS*.SBendtrans-62.3-25.5177.125.1-34.3000112.9S167S167-P169 WeakPolarHBondContact O-CD 3.38Å
170D78.6Confident84Confident47 Ų4788.6 Ų88.625%0.25145%0.447SS..SBendtrans-86.5-26.4-176.4-62.7-20.7000113.7T135 H136 N168T135-D170 VanDerWaalsContact CA-OD2 3.25Å; T135-D170 WeakPolarHBondContact CA-OD2 3.14Å; T135-D170 VanDerWaalsContact CB-OD1 3.25Å; T135-D170 WeakPolarHBondContact CB-OD1 3.5Å; T135-D170 VanDerWaalsContact CG2-OD1 3.27Å; T135-D170 WeakPolarHBondContact CG2-OD1 3.23Å; H136-D170 IonicContact CE1-OD2 3.51Å; H136-D170 IonicContact CG-OD2 3.71Å; H136-D170 PolarHBondContact N-OD2 3.22Å; H136-D170 VanDerWaalsContact ND1-CB 3.25Å; H136-D170 WeakPolarHBondContact ND1-CB 3.45Å; H136-D170 IonicContact ND1-OD2 3.91Å; H136-D170 PolarHBondContact ND1-OD2 3.45Å; N168-D170 PolarHBondContact O-N 3.31Å; N168-D170 VanDerWaalsContact OD1-CB 3.31Å; N168-D170 WeakPolarHBondContact OD1-CB 3.16Å; N168-D170 PolarHBondContact OD1-N 3.06Å
171S75.9Confident84.1Confident48 Ų4887.4 Ų87.434%0.33645%0.447SS..  trans-140.7123-176.9172.70000110N168 N173N168-S171 WeakPolarHBondContact CB-O 3.45Å; N168-S171 CarbonylContact O-C 3.6Å; N168-S171 PolarHBondContact O-N 2.96Å; S171-N173 PolarHBondContact O-N 2.58Å; S171-N173 PolarHBondContact OG-N 2.8Å; S171-N173 PolarHBondContact OG-O 3.37Å
172R71Confident84.4Confident252 Ų25289.5 Ų89.595%0.95147%0.465SS*.SBendtrans-68.7-19177.5-64.8-176.3-1791790113.7
173N75.8Confident84.7Confident130 Ų13091.1 Ų91.170%0.69548%0.478SS*.  trans-105.3146.8-178.4-65-20.3000110.6S171S171-N173 PolarHBondContact O-N 2.58Å; S171-N173 PolarHBondContact OG-N 2.8Å; S171-N173 PolarHBondContact OG-O 3.37Å
174N83.5Confident85.1Confident60 Ų6092.2 Ų92.232%0.32149%0.489SS..  trans-110.1167171.36941.9000110L161 A176L161-N174 CarbonylContact O-C 3.52Å; L161-N174 WeakPolarHBondContact O-CB 3.08Å; N174-A176 WeakPolarHBondContact OD1-CB 3.25Å; N174-A176 PolarHBondContact OD1-N 2.84Å; N174-A176 VanDerWaalsContact OD1-N 3.16Å
175A86.7Confident85.4Confident20 Ų2094.5 Ų94.517%0.16549%0.491CS..SBendtrans-104.223175.600000111.7L161 F162 T177L161-A175 HydrophobicContact CB-CB 4.34Å; L161-A175 WeakPolarHBondContact O-CA 3.48Å; L161-A175 PolarHBondContact O-N 3.13Å; F162-A175 HydrophobicContact CD1-CB 4.03Å; F162-A175 VanDerWaalsContact CD1-O 3.25Å; F162-A175 WeakPolarHBondContact CD1-O 3.2Å; F162-A175 HydrophobicContact CE1-CB 3.78Å; F162-A175 HydrophobicContact CZ-CB 4.27Å; A175-T177 PolarHBondContact O-N 3.26Å
176A86.6Confident85.7Confident38 Ų3893.3 Ų93.331%0.31448%0.483SS..  trans-71.1-14.4-175.800000113.1P164 N174P164-A176 HydrophobicContact CB-CB 3.86Å; P164-A176 HydrophobicContact CG-CB 4.49Å; N174-A176 WeakPolarHBondContact OD1-CB 3.25Å; N174-A176 PolarHBondContact OD1-N 2.84Å; N174-A176 VanDerWaalsContact OD1-N 3.16Å
177T85.3Confident85.8Confident60 Ų6096.2 Ų96.237%0.36850%0.5SS..  trans-122.1140.618054.70000111.5A175 Y179A175-T177 PolarHBondContact O-N 3.26Å; T177-Y179 WeakPolarHBondContact OG1-CE2 3.33Å; T177-Y179 PolarHBondContact OG1-OH 2.72Å; T177-Y179 VanDerWaalsContact OG1-OH 3.13Å
178L86.7Confident85.8Confident109 Ų10996 Ų9657%0.57149%0.491SS*.  trans-117.4112.4173.9-170.174.7000109.5L187 L188 T189L178-L187 HydrophobicContact CD1-CB 4.12Å; L178-L187 HydrophobicContact CD2-CD1 4.17Å; L178-L187 HydrophobicContact CD2-CD2 4Å; L178-L187 HydrophobicContact CD2-CG 4.45Å; L178-L187 HydrophobicContact CG-CB 4.37Å; L178-L187 HydrophobicContact CG-CD2 4.23Å; L178-L188 CarbonylContact C-O 3.6Å; L178-L188 WeakPolarHBondContact CA-O 3.16Å; L178-T189 HydrophobicContact CD1-CG2 3.47Å; L178-T189 VanDerWaalsContact CD1-CG2 3.47Å
179Y85.4Confident85.6Confident134 Ų134100.8 Ų100.853%0.52552%0.52SS..EExtended strand (participates in β ladder)trans-91.7145.2177.7-57-84.3000110.9T177 L187 L188T177-Y179 WeakPolarHBondContact OG1-CE2 3.33Å; T177-Y179 PolarHBondContact OG1-OH 2.72Å; T177-Y179 VanDerWaalsContact OG1-OH 3.13Å; Y179-L187 CarbonylContact O-C 3.51Å; Y179-L187 VanDerWaalsContact O-CA 3.31Å; Y179-L187 WeakPolarHBondContact O-CA 3.48Å; Y179-L188 PolarHBondContact N-O 3.31Å; Y179-L188 PolarHBondContact O-N 2.98Å
180R92.6Very high85.9Confident167 Ų167101 Ų10163%0.6352%0.515SS*.EExtended strand (participates in β ladder)trans-111.7118.4170.1-176-176.1-69.3-92.98109.3C182 K185 L187R180-C182 PolarHBondContact O-N 3.3Å; R180-K185 PolarHBondContact NH1-O 3.34Å; R180-L187 HydrophobicContact CB-CD2 4.13Å; R180-L187 HydrophobicContact CG-CD2 4.36Å
181C92.4Very high86.3Confident34 Ų34103.8 Ų103.823%0.2353%0.529CS..  trans-62.1126.4176.4177.90000110.6L183 K185 K186C181-L183 VanDerWaalsContact C-N 3.26Å; C181-L183 PolarHBondContact O-N 2.91Å; C181-K185 WeakPolarHBondContact O-CA 3.47Å; C181-K185 PolarHBondContact O-N 2.82Å; C181-K186 PolarHBondContact N-O 2.72Å
182C94.5Very high86.9Confident98 Ų98106.9 Ų106.966%0.66254%0.539SS*.THydrogen-bonded Turntrans-66.1-29.2-178.759.10000112.9R180 K185R180-C182 PolarHBondContact O-N 3.3Å; C182-K185 WeakPolarHBondContact O-CE 3.31Å; C182-K185 PolarHBondContact O-NZ 2.85Å
183L95.9Very high87.8Confident156 Ų15698.4 Ų98.482%0.81752%0.515SS*.THydrogen-bonded Turntrans-82.7-59.2-177.3-58.4177.2000112.3C181C181-L183 VanDerWaalsContact C-N 3.26Å; C181-L183 PolarHBondContact O-N 2.91Å
184C96.1Very high88.6Confident73 Ų7396.4 Ų96.449%0.49350%0.504SS..THydrogen-bonded Turntrans-99.6-1-172.970.60000114.2K186C184-K186 HydrophobicContact CB-CG 4.43Å; C184-K186 PolarHBondContact O-N 2.98Å
185K94Very high88.9Confident129 Ų12998.8 Ų98.856%0.56152%0.516SS*.  trans60.25.1-179.6-50.9-53.9-172.9-166.10116R180 C181 C182R180-K185 PolarHBondContact NH1-O 3.34Å; C181-K185 WeakPolarHBondContact O-CA 3.47Å; C181-K185 PolarHBondContact O-N 2.82Å; C182-K185 WeakPolarHBondContact O-CE 3.31Å; C182-K185 PolarHBondContact O-NZ 2.85Å
186K93.8Very high89.1Confident148 Ų148104.4 Ų104.464%0.64354%0.541SS*.  trans-66.5149174.7-65.3-176.7180-177.70111.4C181 C184C181-K186 PolarHBondContact N-O 2.72Å; C184-K186 HydrophobicContact CB-CG 4.43Å; C184-K186 PolarHBondContact O-N 2.98Å
187L88.4Confident89.3Confident95 Ų95109.5 Ų109.550%0.49756%0.559SS.*EExtended strand (participates in β ladder)trans-89.8141.4175.2-61.8170.1000109.9L178 Y179 R180L178-L187 HydrophobicContact CD1-CB 4.12Å; L178-L187 HydrophobicContact CD2-CD1 4.17Å; L178-L187 HydrophobicContact CD2-CD2 4Å; L178-L187 HydrophobicContact CD2-CG 4.45Å; L178-L187 HydrophobicContact CG-CB 4.37Å; L178-L187 HydrophobicContact CG-CD2 4.23Å; Y179-L187 CarbonylContact O-C 3.51Å; Y179-L187 VanDerWaalsContact O-CA 3.31Å; Y179-L187 WeakPolarHBondContact O-CA 3.48Å; R180-L187 HydrophobicContact CB-CD2 4.13Å; R180-L187 HydrophobicContact CG-CD2 4.36Å
188L83.1Confident89.6Confident102 Ų102113.7 Ų113.753%0.53458%0.575SS.*EExtended strand (participates in β ladder)trans-134131-179.8-65.1161.3000107.7L178 Y179L178-L188 CarbonylContact C-O 3.6Å; L178-L188 WeakPolarHBondContact CA-O 3.16Å; Y179-L188 PolarHBondContact N-O 3.31Å; Y179-L188 PolarHBondContact O-N 2.98Å
189T72.1Confident89.8Confident119 Ų119114.1 Ų114.173%0.7358%0.575SS**  trans-98.90165.249.60000108.5L178L178-T189 HydrophobicContact CD1-CG2 3.47Å; L178-T189 VanDerWaalsContact CD1-CG2 3.47Å

Retrieved 189 of 189 residues in 65.2 ms (Link to these results)

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